N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C27H29N3O — CID 16975742

IUPACN-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCC(C)c1ccc(Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O/c1-3-20(2)22-15-13-21(14-16-22)19-30-25-12-8-7-11-24(25)29-26(30)17-18-28-27(31)23-9-5-4-6-10-23/h4-16,20H,3,17-19H2,1-2H3,(H,28,31)
InChIKeyPSOVYWARDASPEX-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.57
Rot. Bonds8

About N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16975742) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16975742
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC NameN-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCC(C)c1ccc(Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O/c1-3-20(2)22-15-13-21(14-16-22)19-30-25-12-8-7-11-24(25)29-26(30)17-18-28-27(31)23-9-5-4-6-10-23/h4-16,20H,3,17-19H2,1-2H3,(H,28,31)
InChIKeyPSOVYWARDASPEX-UHFFFAOYSA-N
XLogP5.57
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 ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978475
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984897
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975173
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993356
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985868
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990926
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994814
(Z)-N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986158

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 16975742) is N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is CCC(C)c1ccc(Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is PSOVYWARDASPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-3-20(2)22-15-13-21(14-16-22)19-30-25-12-8-7-11-24(25)29-26(30)17-18-28-27(31)23-9-5-4-6-10-23/h4-16,20H,3,17-19H2,1-2H3,(H,28,31).
What are the key properties of N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 411.55 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16975742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).