2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide

C28H30ClN3O2 — CID 68887519

IUPAC2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)C2(c3ccc(Cl)cc3)Nc3ccccc3N2)c1
InChIInChI=1S/C28H30ClN3O2/c1-34-23-11-7-8-19(18-23)26(27(33)30-22-9-3-2-4-10-22)28(20-14-16-21(29)17-15-20)31-24-12-5-6-13-25(24)32-28/h5-8,11-18,22,26,31-32H,2-4,9-10H2,1H3,(H,30,33)
InChIKeyVYSSHDVSEFGXKC-UHFFFAOYSA-N
MW476.02 g/mol
LogP6.27
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide

2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide (PubChem CID 68887519) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
PubChem CID68887519
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC Name2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)C2(c3ccc(Cl)cc3)Nc3ccccc3N2)c1
InChIInChI=1S/C28H30ClN3O2/c1-34-23-11-7-8-19(18-23)26(27(33)30-22-9-3-2-4-10-22)28(20-14-16-21(29)17-15-20)31-24-12-5-6-13-25(24)32-28/h5-8,11-18,22,26,31-32H,2-4,9-10H2,1H3,(H,30,33)
InChIKeyVYSSHDVSEFGXKC-UHFFFAOYSA-N
XLogP6.27
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68889730
2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide
CID 68885781
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide
CID 68886346
2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68887165
N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide
CID 68887043
N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68887889
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441708
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132613940
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
CID 3202697
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100509731

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide (CID 68887519) is 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide is COc1cccc(C(C(=O)NC2CCCCC2)C2(c3ccc(Cl)cc3)Nc3ccccc3N2)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide?
The InChIKey is VYSSHDVSEFGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-34-23-11-7-8-19(18-23)26(27(33)30-22-9-3-2-4-10-22)28(20-14-16-21(29)17-15-20)31-24-12-5-6-13-25(24)32-28/h5-8,11-18,22,26,31-32H,2-4,9-10H2,1H3,(H,30,33).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide?
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide has a molecular weight of 476.02 g/mol, XLogP of 6.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 68887519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).