[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine

C16H16ClN3 — CID 115472637

IUPAC[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
SMILESCCn1c(-c2ccc(CN)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClN3/c1-2-20-15-9-13(17)7-8-14(15)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2,10,18H2,1H3
InChIKeyMZRYTTBYLNFOEU-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.84
Rot. Bonds3

About [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine

[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine (PubChem CID 115472637) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
PubChem CID115472637
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
SMILESCCn1c(-c2ccc(CN)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClN3/c1-2-20-15-9-13(17)7-8-14(15)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2,10,18H2,1H3
InChIKeyMZRYTTBYLNFOEU-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine (CID 115472637) is [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine is CCn1c(-c2ccc(CN)cc2)nc2ccc(Cl)cc21.
What is the InChIKey of [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine?
The InChIKey is MZRYTTBYLNFOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-20-15-9-13(17)7-8-14(15)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2,10,18H2,1H3.
What are the key properties of [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine?
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine has a molecular weight of 285.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 115472637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).