2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide

C26H27N3O — CID 70015882

IUPAC2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C26H27N3O/c1-4-16-28(26(30)22-15-14-19(2)17-20(22)3)18-25-27-23-12-8-9-13-24(23)29(25)21-10-6-5-7-11-21/h5-15,17H,4,16,18H2,1-3H3
InChIKeyXMGUVGLJHUTCPU-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.69
Rot. Bonds6

About 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide

2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide (PubChem CID 70015882) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
PubChem CID70015882
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C26H27N3O/c1-4-16-28(26(30)22-15-14-19(2)17-20(22)3)18-25-27-23-12-8-9-13-24(23)29(25)21-10-6-5-7-11-21/h5-15,17H,4,16,18H2,1-3H3
InChIKeyXMGUVGLJHUTCPU-UHFFFAOYSA-N
XLogP5.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70013857
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732504
N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
CID 70012357
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724
N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 18734660
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967909
N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511837
2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
CID 119206156
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The IUPAC name of 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide (CID 70015882) is 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide is CCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The InChIKey is XMGUVGLJHUTCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-4-16-28(26(30)22-15-14-19(2)17-20(22)3)18-25-27-23-12-8-9-13-24(23)29(25)21-10-6-5-7-11-21/h5-15,17H,4,16,18H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide has a molecular weight of 397.52 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 70015882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).