4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine

C16H16ClN3 — CID 106900318

IUPAC4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
SMILESCCc1ccc(Cn2c(N)nc3c(Cl)cccc32)cc1
InChIInChI=1S/C16H16ClN3/c1-2-11-6-8-12(9-7-11)10-20-14-5-3-4-13(17)15(14)19-16(20)18/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyNREPREWERYQYOS-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.88
Rot. Bonds3

About 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine

4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine (PubChem CID 106900318) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
PubChem CID106900318
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
SMILESCCc1ccc(Cn2c(N)nc3c(Cl)cccc32)cc1
InChIInChI=1S/C16H16ClN3/c1-2-11-6-8-12(9-7-11)10-20-14-5-3-4-13(17)15(14)19-16(20)18/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyNREPREWERYQYOS-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
CID 104837124
4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine
CID 104836999
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine (CID 106900318) is 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine is CCc1ccc(Cn2c(N)nc3c(Cl)cccc32)cc1.
What is the InChIKey of 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine?
The InChIKey is NREPREWERYQYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-11-6-8-12(9-7-11)10-20-14-5-3-4-13(17)15(14)19-16(20)18/h3-9H,2,10H2,1H3,(H2,18,19).
What are the key properties of 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine?
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106900318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).