6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine

C16H17N3 — CID 45017469

IUPAC6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(NC(C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C16H17N3/c1-11-8-9-14-15(10-11)19-16(18-14)17-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,17,18,19)
InChIKeySOSINYPVTRVPRN-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.04
Rot. Bonds3

About 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine

6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine (PubChem CID 45017469) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
PubChem CID45017469
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(NC(C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C16H17N3/c1-11-8-9-14-15(10-11)19-16(18-14)17-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,17,18,19)
InChIKeySOSINYPVTRVPRN-UHFFFAOYSA-N
XLogP4.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 60724213
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
CID 3009971
6-fluoro-N-(1-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294715
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
CID 82562713
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 103295041
2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 124730634
(6-methyl-1H-benzimidazol-2-yl)thiourea
CID 6917301
6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine
CID 110375259
N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 61038634

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine (CID 45017469) is 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine is Cc1ccc2nc(NC(C)c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine?
The InChIKey is SOSINYPVTRVPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-8-9-14-15(10-11)19-16(18-14)17-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,17,18,19).
What are the key properties of 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine?
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 45017469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).