4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline

C17H18ClN3 — CID 104698561

IUPAC4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
SMILESCCCn1c(-c2ccc(NC)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H18ClN3/c1-3-10-21-16-11-13(18)6-9-15(16)20-17(21)12-4-7-14(19-2)8-5-12/h4-9,11,19H,3,10H2,1-2H3
InChIKeyALHJMFKOCXDVJO-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.81
Rot. Bonds4

About 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline

4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline (PubChem CID 104698561) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
PubChem CID104698561
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
SMILESCCCn1c(-c2ccc(NC)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H18ClN3/c1-3-10-21-16-11-13(18)6-9-15(16)20-17(21)12-4-7-14(19-2)8-5-12/h4-9,11,19H,3,10H2,1-2H3
InChIKeyALHJMFKOCXDVJO-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136885662
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
CID 104698563
2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]ethanol
CID 10638406
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 113316618
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
CID 104698506
2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
CID 115472892
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline?
The IUPAC name of 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline (CID 104698561) is 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline is CCCn1c(-c2ccc(NC)cc2)nc2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline?
The InChIKey is ALHJMFKOCXDVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-3-10-21-16-11-13(18)6-9-15(16)20-17(21)12-4-7-14(19-2)8-5-12/h4-9,11,19H,3,10H2,1-2H3.
What are the key properties of 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline?
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline has a molecular weight of 299.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline is sourced from PubChem (CID 104698561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).