2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide

C24H21Cl2N3O — CID 18732504

IUPAC2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H21Cl2N3O/c1-2-14-28(24(30)19-15-17(25)12-13-20(19)26)16-23-27-21-10-6-7-11-22(21)29(23)18-8-4-3-5-9-18/h3-13,15H,2,14,16H2,1H3
InChIKeyIPZNSOVVRBXYRW-UHFFFAOYSA-N
MW438.36 g/mol
LogP6.38
Rot. Bonds6

About 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide

2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide (PubChem CID 18732504) has the molecular formula C24H21Cl2N3O and a molecular weight of 438.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
PubChem CID18732504
Molecular FormulaC24H21Cl2N3O
Molecular Weight438.36 g/mol
Exact Mass437.11
IUPAC Name2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H21Cl2N3O/c1-2-14-28(24(30)19-15-17(25)12-13-20(19)26)16-23-27-21-10-6-7-11-22(21)29(23)18-8-4-3-5-9-18/h3-13,15H,2,14,16H2,1H3
InChIKeyIPZNSOVVRBXYRW-UHFFFAOYSA-N
XLogP6.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70015882
2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70013857
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
CID 70012357
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
2-[4-(2-butylbenzimidazol-1-yl)-2-methylphenyl]-4-chlorobenzoic acid
CID 67572795
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The IUPAC name of 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide (CID 18732504) is 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide is CCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The InChIKey is IPZNSOVVRBXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O/c1-2-14-28(24(30)19-15-17(25)12-13-20(19)26)16-23-27-21-10-6-7-11-22(21)29(23)18-8-4-3-5-9-18/h3-13,15H,2,14,16H2,1H3.
What are the key properties of 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide has a molecular weight of 438.36 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 18732504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).