1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol

C34H50N8O2 — CID 161250786

IUPAC1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol
SMILESCN1CC=C(c2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1.CN1CCC(c2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1
InChIInChI=1S/C17H26N4O.C17H24N4O/c2*1-17(2,22)11-21-15-5-4-13(10-14(15)19-16(21)18)12-6-8-20(3)9-7-12/h4-5,10,12,22H,6-9,11H2,1-3H3,(H2,18,19);4-6,10,22H,7-9,11H2,1-3H3,(H2,18,19)
InChIKeyVBFWGPPVIHRPGZ-UHFFFAOYSA-N
MW602.83 g/mol
LogP4.31
Rot. Bonds6

About 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol

1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol (PubChem CID 161250786) has the molecular formula C34H50N8O2 and a molecular weight of 602.83 g/mol. Its IUPAC name is 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol
PubChem CID161250786
Molecular FormulaC34H50N8O2
Molecular Weight602.83 g/mol
Exact Mass602.41
IUPAC Name1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol
SMILESCN1CC=C(c2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1.CN1CCC(c2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1
InChIInChI=1S/C17H26N4O.C17H24N4O/c2*1-17(2,22)11-21-15-5-4-13(10-14(15)19-16(21)18)12-6-8-20(3)9-7-12/h4-5,10,12,22H,6-9,11H2,1-3H3,(H2,18,19);4-6,10,22H,7-9,11H2,1-3H3,(H2,18,19)
InChIKeyVBFWGPPVIHRPGZ-UHFFFAOYSA-N
XLogP4.31
TPSA134.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.83
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
Pyrrol-3(2H)-one, 5-amino-1-benzyl)-4-(1-methyl-2-benzimidazolyl)-
CID 135519505
4-[1-(4-Amino-1,3,5-Triazin-2-Yl)-2-(Ethylamino)-1h-Benzimidazol-6-Yl]-2-Methylbut-3-Yn-2-Ol
CID 72725813
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 1043331
N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-amine
CID 658809
N-[[4-(diethylamino)phenyl]methyl]-1-[2-(1-piperidinyl)ethyl]-2-benzimidazolamine
CID 1290899
1-Benzyl-5-methyl-2-piperazin-1-ylbenzimidazole
CID 10614626
1H-Benzimidazole, 5,6-dimethyl-1-(phenylmethyl)-2-(1-piperazinyl)-
CID 10734486
1-[[5-(2-Aminopropan-2-yl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
CID 20813983
1-[[5-Ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
CID 20814005
{3-[5-carbamimidoyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-2-oxo-2,3-dihydro-benzoimidazol-1-yl}-acetic acid
CID 20814025
2-(3-isopropenyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carboxamidine
CID 22349332

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol (CID 161250786) is 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol is CN1CC=C(c2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1.CN1CCC(c2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1.
What is the InChIKey of 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is VBFWGPPVIHRPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.C17H24N4O/c2*1-17(2,22)11-21-15-5-4-13(10-14(15)19-16(21)18)12-6-8-20(3)9-7-12/h4-5,10,12,22H,6-9,11H2,1-3H3,(H2,18,19);4-6,10,22H,7-9,11H2,1-3H3,(H2,18,19).
What are the key properties of 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol?
1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 602.83 g/mol, XLogP of 4.31, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol;1-[2-amino-5-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 161250786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).