N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine

C16H25N3 — CID 163425799

IUPACN-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C16H25N3/c1-15(2,3)11-7-8-12-13(9-11)19-14(18-12)10-17-16(4,5)6/h7-9,17H,10H2,1-6H3,(H,18,19)
InChIKeyRQKDSPLVUNBUES-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.75
Rot. Bonds2

About N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine

N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 163425799) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID163425799
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C16H25N3/c1-15(2,3)11-7-8-12-13(9-11)19-14(18-12)10-17-16(4,5)6/h7-9,17H,10H2,1-6H3,(H,18,19)
InChIKeyRQKDSPLVUNBUES-UHFFFAOYSA-N
XLogP3.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine;2-(tert-butylsulfanylmethyl)-6-(2-tritiopropan-2-yl)-1H-benzimidazole;2-(tert-butylsulfanylmethyl)-6-(2-tritiopropan-2-yl)-1,3-benzoxazole
CID 163527878
N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 82336836
N-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole
CID 126713121
2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
CID 123261460
4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine
CID 89291114
2-[(4-tert-butylphenyl)methyl]-3H-benzimidazole-5-carboxylic acid
CID 145226643
1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol
CID 155560387
2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257984
2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455926
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050

Frequently Asked Questions

What is the IUPAC name of N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine (CID 163425799) is N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nc2ccc(C(C)(C)C)cc2[nH]1.
What is the InChIKey of N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is RQKDSPLVUNBUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-15(2,3)11-7-8-12-13(9-11)19-14(18-12)10-17-16(4,5)6/h7-9,17H,10H2,1-6H3,(H,18,19).
What are the key properties of N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 163425799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).