N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine

C15H14ClN3 — CID 924403

IUPACN-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
SMILESCCn1c(Nc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C15H14ClN3/c1-2-19-14-6-4-3-5-13(14)18-15(19)17-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyCVBUJWDPHCTBLA-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.45
Rot. Bonds3

About N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine

N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine (PubChem CID 924403) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
PubChem CID924403
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC NameN-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
SMILESCCn1c(Nc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C15H14ClN3/c1-2-19-14-6-4-3-5-13(14)18-15(19)17-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyCVBUJWDPHCTBLA-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine (CID 924403) is N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine is CCn1c(Nc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine?
The InChIKey is CVBUJWDPHCTBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-2-19-14-6-4-3-5-13(14)18-15(19)17-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine?
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine has a molecular weight of 271.75 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 924403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).