3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide

C29H29N3O2 — CID 92772891

IUPAC3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C29H29N3O2/c1-21-8-5-6-11-25(21)23-14-16-24(17-15-23)32-20-30-18-27(32)29(33)31-26-12-7-13-28(26)34-19-22-9-3-2-4-10-22/h2-6,8-11,14-18,20,26,28H,7,12-13,19H2,1H3,(H,31,33)/t26-,28+/m0/s1
InChIKeyWPZJWLCODNUYCD-XTEPFMGCSA-N
MW451.57 g/mol
LogP5.72
Rot. Bonds7

About 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide

3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide (PubChem CID 92772891) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
PubChem CID92772891
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C29H29N3O2/c1-21-8-5-6-11-25(21)23-14-16-24(17-15-23)32-20-30-18-27(32)29(33)31-26-12-7-13-28(26)34-19-22-9-3-2-4-10-22/h2-6,8-11,14-18,20,26,28H,7,12-13,19H2,1H3,(H,31,33)/t26-,28+/m0/s1
InChIKeyWPZJWLCODNUYCD-XTEPFMGCSA-N
XLogP5.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
CID 163338325
N-[(2R)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762304
N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762305
1-methyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70782413
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid
CID 58646681
2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 71148032
2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]pyrimidine-5-carboxamide
CID 74230622
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431
N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide
CID 100656473
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92773011
ethyl 1-[1-oxo-1-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]propan-2-yl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylate
CID 58646689
5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]-1-[[(1S,2S)-2-phenylmethoxycyclohexyl]sulfamoylmethyl]pyrazole-3-carboxylic acid
CID 11606969

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide?
The IUPAC name of 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide (CID 92772891) is 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide is Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide?
The InChIKey is WPZJWLCODNUYCD-XTEPFMGCSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-21-8-5-6-11-25(21)23-14-16-24(17-15-23)32-20-30-18-27(32)29(33)31-26-12-7-13-28(26)34-19-22-9-3-2-4-10-22/h2-6,8-11,14-18,20,26,28H,7,12-13,19H2,1H3,(H,31,33)/t26-,28+/m0/s1.
What are the key properties of 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide?
3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)phenyl]-N-[(1S,2R)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide is sourced from PubChem (CID 92772891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).