2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide

C27H29N3O3 — CID 42810587

IUPAC2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide
SMILESCCCC(C(=O)Nc1ccc(OC)c(OC)c1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N3O3/c1-4-10-23(27(31)28-20-15-16-24(32-2)25(18-20)33-3)30-22-14-9-8-13-21(22)29-26(30)17-19-11-6-5-7-12-19/h5-9,11-16,18,23H,4,10,17H2,1-3H3,(H,28,31)
InChIKeyKIRYVQOQBUTMRI-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.62
Rot. Bonds9

About 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide

2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide (PubChem CID 42810587) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide
PubChem CID42810587
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide
SMILESCCCC(C(=O)Nc1ccc(OC)c(OC)c1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N3O3/c1-4-10-23(27(31)28-20-15-16-24(32-2)25(18-20)33-3)30-22-14-9-8-13-21(22)29-26(30)17-19-11-6-5-7-12-19/h5-9,11-16,18,23H,4,10,17H2,1-3H3,(H,28,31)
InChIKeyKIRYVQOQBUTMRI-UHFFFAOYSA-N
XLogP5.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301399
(2S)-N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]pentanamide
CID 93301277
(2S)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 98391592
2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide
CID 51067007
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92741995
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93301281
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 93301649
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide (CID 42810587) is 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide is CCCC(C(=O)Nc1ccc(OC)c(OC)c1)n1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide?
The InChIKey is KIRYVQOQBUTMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-4-10-23(27(31)28-20-15-16-24(32-2)25(18-20)33-3)30-22-14-9-8-13-21(22)29-26(30)17-19-11-6-5-7-12-19/h5-9,11-16,18,23H,4,10,17H2,1-3H3,(H,28,31).
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide?
2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide has a molecular weight of 443.55 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide is sourced from PubChem (CID 42810587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).