2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide

C29H30N4O2 — CID 3202307

IUPAC2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C29H30N4O2/c34-27(20-32-21-30-25-18-10-11-19-26(25)32)33(24-16-8-3-9-17-24)28(22-12-4-1-5-13-22)29(35)31-23-14-6-2-7-15-23/h1,3-5,8-13,16-19,21,23,28H,2,6-7,14-15,20H2,(H,31,35)
InChIKeyNVSIRSNWJXADMY-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.26
Rot. Bonds7

About 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide

2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide (PubChem CID 3202307) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide
PubChem CID3202307
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C29H30N4O2/c34-27(20-32-21-30-25-18-10-11-19-26(25)32)33(24-16-8-3-9-17-24)28(22-12-4-1-5-13-22)29(35)31-23-14-6-2-7-15-23/h1,3-5,8-13,16-19,21,23,28H,2,6-7,14-15,20H2,(H,31,35)
InChIKeyNVSIRSNWJXADMY-UHFFFAOYSA-N
XLogP5.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
CID 1155834
N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide
CID 132543975
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclopentyl-2-thiophen-2-ylacetamide
CID 23941591
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1152283
(2R)-2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1152828
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 3197877
methyl 4-[(1R)-1-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-2-(cyclohexylamino)-2-oxoethyl]benzoate
CID 1155790
methyl 4-[(1S)-1-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-2-(cyclohexylamino)-2-oxoethyl]benzoate
CID 1155788
methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-1-(4-methoxycarbonylphenyl)-2-oxoethyl]amino]benzoate
CID 3181702
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
2-[N-[2-(benzotriazol-1-yl)acetyl]-4-(dimethylsulfamoyl)anilino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3178271

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide?
The IUPAC name of 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide (CID 3202307) is 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide?
The canonical SMILES for 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide is O=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cn1cnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide?
The InChIKey is NVSIRSNWJXADMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c34-27(20-32-21-30-25-18-10-11-19-26(25)32)33(24-16-8-3-9-17-24)28(22-12-4-1-5-13-22)29(35)31-23-14-6-2-7-15-23/h1,3-5,8-13,16-19,21,23,28H,2,6-7,14-15,20H2,(H,31,35).
What are the key properties of 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide?
2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide has a molecular weight of 466.59 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide is sourced from PubChem (CID 3202307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).