2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide

C27H29N3O — CID 16976389

IUPAC2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2nc3ccccc3n2CCCc2ccccc2)c(C)c1
InChIInChI=1S/C27H29N3O/c1-20-14-15-23(21(2)19-20)27(31)28-17-16-26-29-24-12-6-7-13-25(24)30(26)18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-15,19H,8,11,16-18H2,1-2H3,(H,28,31)
InChIKeyPKUOYLTXZUWDEC-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.26
Rot. Bonds8

About 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide

2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976389) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976389
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2nc3ccccc3n2CCCc2ccccc2)c(C)c1
InChIInChI=1S/C27H29N3O/c1-20-14-15-23(21(2)19-20)27(31)28-17-16-26-29-24-12-6-7-13-25(24)30(26)18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-15,19H,8,11,16-18H2,1-2H3,(H,28,31)
InChIKeyPKUOYLTXZUWDEC-UHFFFAOYSA-N
XLogP5.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976391
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989477
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
2,4-dimethyl-N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]benzamide
CID 16982506
N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976414

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide (CID 16976389) is 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(C(=O)NCCc2nc3ccccc3n2CCCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is PKUOYLTXZUWDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-20-14-15-23(21(2)19-20)27(31)28-17-16-26-29-24-12-6-7-13-25(24)30(26)18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-15,19H,8,11,16-18H2,1-2H3,(H,28,31).
What are the key properties of 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 411.55 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).