1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine

C15H17N3S — CID 7342846

IUPAC1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2sccc2C)nc2ccccc21
InChIInChI=1S/C15H17N3S/c1-3-18-13-7-5-4-6-12(13)17-15(18)16-10-14-11(2)8-9-19-14/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyNZGJHADOZHVNFO-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.04
Rot. Bonds4

About 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine

1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine (PubChem CID 7342846) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
PubChem CID7342846
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2sccc2C)nc2ccccc21
InChIInChI=1S/C15H17N3S/c1-3-18-13-7-5-4-6-12(13)17-15(18)16-10-14-11(2)8-9-19-14/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyNZGJHADOZHVNFO-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
CID 34013980
1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine
CID 647353
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324
4-bromo-2-[[(1-ethylbenzimidazol-2-yl)amino]methyl]phenol
CID 787412
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 86782857
2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
CID 91927564
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine (CID 7342846) is 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine is CCn1c(NCc2sccc2C)nc2ccccc21.
What is the InChIKey of 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is NZGJHADOZHVNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-18-13-7-5-4-6-12(13)17-15(18)16-10-14-11(2)8-9-19-14/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine?
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 271.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 7342846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).