2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C27H28ClN3O — CID 16979430

IUPAC2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(C)c1ccc(Cn2c(CCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H28ClN3O/c1-19(2)22-11-7-21(8-12-22)18-31-25-6-4-3-5-24(25)30-26(31)15-16-29-27(32)17-20-9-13-23(28)14-10-20/h3-14,19H,15-18H2,1-2H3,(H,29,32)
InChIKeyWYDSGZTYBFQGKQ-UHFFFAOYSA-N
MW445.99 g/mol
LogP5.76
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979430) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16979430
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC Name2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(C)c1ccc(Cn2c(CCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H28ClN3O/c1-19(2)22-11-7-21(8-12-22)18-31-25-6-4-3-5-24(25)30-26(31)15-16-29-27(32)17-20-9-13-23(28)14-10-20/h3-14,19H,15-18H2,1-2H3,(H,29,32)
InChIKeyWYDSGZTYBFQGKQ-UHFFFAOYSA-N
XLogP5.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993844
2-(4-chlorophenyl)-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979515
2-(4-phenylphenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994330
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16981288
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979546
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
2-(3,4-dimethoxyphenyl)-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985708
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984897
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
2-(4-methoxyphenyl)-N-[2-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979621

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979430) is 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is CC(C)c1ccc(Cn2c(CCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is WYDSGZTYBFQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-19(2)22-11-7-21(8-12-22)18-31-25-6-4-3-5-24(25)30-26(31)15-16-29-27(32)17-20-9-13-23(28)14-10-20/h3-14,19H,15-18H2,1-2H3,(H,29,32).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 445.99 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).