1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine

C16H16ClN3 — CID 63496681

IUPAC1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3/c1-2-3-16-19-14-10-12(18)6-9-15(14)20(16)13-7-4-11(17)5-8-13/h4-10H,2-3,18H2,1H3
InChIKeySTPRPVZOCRMRLK-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.21
Rot. Bonds3

About 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine

1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine (PubChem CID 63496681) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
PubChem CID63496681
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3/c1-2-3-16-19-14-10-12(18)6-9-15(14)20(16)13-7-4-11(17)5-8-13/h4-10H,2-3,18H2,1H3
InChIKeySTPRPVZOCRMRLK-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63497224
1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
CID 62506849
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole
CID 43666944
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
CID 62594707
[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol
CID 62595630
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine (CID 63496681) is 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine?
The InChIKey is STPRPVZOCRMRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-3-16-19-14-10-12(18)6-9-15(14)20(16)13-7-4-11(17)5-8-13/h4-10H,2-3,18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine?
1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine has a molecular weight of 285.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 63496681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).