N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine

C82H111N19O2 — CID 157327961

IUPACN-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)Nc1cc(=O)c2ccccc2[nH]1.CC(C)Nc1nc2ccccc2n1C.CC(C)Nc1nc2ccccc2o1.Cc1cc2nc(NC(C)(C)C)[nH]c2cc1C.Cc1ccc2[nH]c(NC(C)(C)C)nc2c1C.Cc1ccc2nc(CC(C)(C)C)[nH]c2c1.Cc1cnc2nc(NC(C)C)[nH]c2c1
InChIInChI=1S/2C13H19N3.C13H18N2.C12H14N2O.C11H15N3.C10H14N4.C10H12N2O/c1-8-6-10-11(7-9(8)2)15-12(14-10)16-13(3,4)5;1-8-6-7-10-11(9(8)2)15-12(14-10)16-13(3,4)5;1-9-5-6-10-11(7-9)15-12(14-10)8-13(2,3)4;1-8(2)13-12-7-11(15)9-5-3-4-6-10(9)14-12;1-8(2)12-11-13-9-6-4-5-7-10(9)14(11)3;1-6(2)12-10-13-8-4-7(3)5-11-9(8)14-10;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h2*6-7H,1-5H3,(H2,14,15,16);5-7H,8H2,1-4H3,(H,14,15);3-8H,1-2H3,(H2,13,14,15);4-8H,1-3H3,(H,12,13);4-6H,1-3H3,(H2,11,12,13,14);3-7H,1-2H3,(H,11,12)
InChIKeyBEYJTOSJNYDLQN-UHFFFAOYSA-N
MW1394.92 g/mol
LogP19.72
Rot. Bonds11

About N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine

N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 157327961) has the molecular formula C82H111N19O2 and a molecular weight of 1394.92 g/mol. Its IUPAC name is N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID157327961
Molecular FormulaC82H111N19O2
Molecular Weight1394.92 g/mol
Exact Mass1393.92
IUPAC NameN-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)Nc1cc(=O)c2ccccc2[nH]1.CC(C)Nc1nc2ccccc2n1C.CC(C)Nc1nc2ccccc2o1.Cc1cc2nc(NC(C)(C)C)[nH]c2cc1C.Cc1ccc2[nH]c(NC(C)(C)C)nc2c1C.Cc1ccc2nc(CC(C)(C)C)[nH]c2c1.Cc1cnc2nc(NC(C)C)[nH]c2c1
InChIInChI=1S/2C13H19N3.C13H18N2.C12H14N2O.C11H15N3.C10H14N4.C10H12N2O/c1-8-6-10-11(7-9(8)2)15-12(14-10)16-13(3,4)5;1-8-6-7-10-11(9(8)2)15-12(14-10)16-13(3,4)5;1-9-5-6-10-11(7-9)15-12(14-10)8-13(2,3)4;1-8(2)13-12-7-11(15)9-5-3-4-6-10(9)14-12;1-8(2)12-11-13-9-6-4-5-7-10(9)14(11)3;1-6(2)12-10-13-8-4-7(3)5-11-9(8)14-10;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h2*6-7H,1-5H3,(H2,14,15,16);5-7H,8H2,1-4H3,(H,14,15);3-8H,1-2H3,(H2,13,14,15);4-8H,1-3H3,(H,12,13);4-6H,1-3H3,(H2,11,12,13,14);3-7H,1-2H3,(H,11,12)
InChIKeyBEYJTOSJNYDLQN-UHFFFAOYSA-N
XLogP19.72
TPSA276.50 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001394.92
LogP ≤ 519.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Analyze N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;2,3-dimethyl-1-(2-methylphenyl)pyrazol-1-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium
CID 158510048
2-[11-[4-[5-[11-(1,3-Benzoxazol-2-yl)-12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-4-yl]-2-pyridinyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 169924683
2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one
CID 16735523
n-(Benzoxazol-2-yl)-n'-(1h-benzimidazol-2-ylmethyl)-n'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
CID 22018820
(2S)-2-(4-methylpiperazin-1-yl)-1-[2-[4-[5-[2-[1-[(2S)-2-(4-methylpiperazin-1-yl)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 44814739
methyl N-[(1R)-2-[(2S)-2-[6-[2-[2-[(2S)-1-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylacetyl]pyrrolidin-2-yl]-1H-benzimidazol-4-yl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 59236981
(2R)-1-[(2S)-2-[6-[2-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-benzimidazol-4-yl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-(dimethylamino)-2-phenylethanone
CID 59236983
2-(4-methylpiperazin-1-yl)-1-[(2S)-2-[4-[5-[2-[(2S)-1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 59237006
N-[(1R)-2-[(2S)-2-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]acetamide
CID 59237011
N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[6-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazol-4-yl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethyl]acetamide
CID 59237020
(2R)-2-(dimethylamino)-1-[(2S)-2-[6-[2-[2-[(1S,3S,5S)-2-[(2R)-2-(dimethylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-benzimidazol-4-yl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 59237034
2-phenyl-1-[(2S)-2-[4-[5-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 59237035

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine (CID 157327961) is N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine is CC(C)Nc1cc(=O)c2ccccc2[nH]1.CC(C)Nc1nc2ccccc2n1C.CC(C)Nc1nc2ccccc2o1.Cc1cc2nc(NC(C)(C)C)[nH]c2cc1C.Cc1ccc2[nH]c(NC(C)(C)C)nc2c1C.Cc1ccc2nc(CC(C)(C)C)[nH]c2c1.Cc1cnc2nc(NC(C)C)[nH]c2c1.
What is the InChIKey of N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is BEYJTOSJNYDLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19N3.C13H18N2.C12H14N2O.C11H15N3.C10H14N4.C10H12N2O/c1-8-6-10-11(7-9(8)2)15-12(14-10)16-13(3,4)5;1-8-6-7-10-11(9(8)2)15-12(14-10)16-13(3,4)5;1-9-5-6-10-11(7-9)15-12(14-10)8-13(2,3)4;1-8(2)13-12-7-11(15)9-5-3-4-6-10(9)14-12;1-8(2)12-11-13-9-6-4-5-7-10(9)14(11)3;1-6(2)12-10-13-8-4-7(3)5-11-9(8)14-10;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h2*6-7H,1-5H3,(H2,14,15,16);5-7H,8H2,1-4H3,(H,14,15);3-8H,1-2H3,(H2,13,14,15);4-8H,1-3H3,(H,12,13);4-6H,1-3H3,(H2,11,12,13,14);3-7H,1-2H3,(H,11,12).
What are the key properties of N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine?
N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 1394.92 g/mol, XLogP of 19.72, 11 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,5-dimethyl-1H-benzimidazol-2-amine;N-tert-butyl-5,6-dimethyl-1H-benzimidazol-2-amine;2-(2,2-dimethylpropyl)-6-methyl-1H-benzimidazole;1-methyl-N-propan-2-ylbenzimidazol-2-amine;6-methyl-N-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-amine;2-(propan-2-ylamino)-1H-quinolin-4-one;N-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 157327961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).