1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine

C16H16ClN3 — CID 82359547

IUPAC1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
SMILESCCNc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3/c1-2-18-16-19-14-5-3-4-6-15(14)20(16)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyXBDBEIBMHAPBKZ-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.17
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine

1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine (PubChem CID 82359547) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
PubChem CID82359547
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
SMILESCCNc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3/c1-2-18-16-19-14-5-3-4-6-15(14)20(16)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyXBDBEIBMHAPBKZ-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568
4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359745
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine (CID 82359547) is 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine is CCNc1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine?
The InChIKey is XBDBEIBMHAPBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-18-16-19-14-5-3-4-6-15(14)20(16)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine?
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine is sourced from PubChem (CID 82359547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).