N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine

C16H17N3 — CID 62313746

IUPACN-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1cccc(CCNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H17N3/c1-12-5-4-6-13(11-12)9-10-17-16-18-14-7-2-3-8-15(14)19-16/h2-8,11H,9-10H2,1H3,(H2,17,18,19)
InChIKeyHPCRSYZIVNJRIF-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.53
Rot. Bonds4

About N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine

N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 62313746) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
PubChem CID62313746
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1cccc(CCNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H17N3/c1-12-5-4-6-13(11-12)9-10-17-16-18-14-7-2-3-8-15(14)19-16/h2-8,11H,9-10H2,1H3,(H2,17,18,19)
InChIKeyHPCRSYZIVNJRIF-UHFFFAOYSA-N
XLogP3.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 115143891
N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
CID 60700198
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 103868134
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
CID 133410006
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine (CID 62313746) is N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine is Cc1cccc(CCNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is HPCRSYZIVNJRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-5-4-6-13(11-12)9-10-17-16-18-14-7-2-3-8-15(14)19-16/h2-8,11H,9-10H2,1H3,(H2,17,18,19).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine?
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 62313746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).