N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide

C27H25ClN4O3 — CID 42828252

IUPACN-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccco2)C(=O)C2CC2)cc1
InChIInChI=1S/C27H25ClN4O3/c1-18-4-12-22(13-5-18)32-16-24(19-8-10-21(28)11-9-19)29-27(32)30-25(33)17-31(26(34)20-6-7-20)15-23-3-2-14-35-23/h2-5,8-14,16,20H,6-7,15,17H2,1H3,(H,29,30,33)
InChIKeyKDWFUOZHBPBEQE-UHFFFAOYSA-N
MW488.98 g/mol
LogP5.47
Rot. Bonds8

About N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide

N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 42828252) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
PubChem CID42828252
Molecular FormulaC27H25ClN4O3
Molecular Weight488.98 g/mol
Exact Mass488.16
IUPAC NameN-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccco2)C(=O)C2CC2)cc1
InChIInChI=1S/C27H25ClN4O3/c1-18-4-12-22(13-5-18)32-16-24(19-8-10-21(28)11-9-19)29-27(32)30-25(33)17-31(26(34)20-6-7-20)15-23-3-2-14-35-23/h2-5,8-14,16,20H,6-7,15,17H2,1H3,(H,29,30,33)
InChIKeyKDWFUOZHBPBEQE-UHFFFAOYSA-N
XLogP5.47
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.98
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylcyclopropanecarboxamide
CID 42828267
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 46146420
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830499
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 46145530
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145594
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42830515
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 42826520
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopentanecarboxamide
CID 42830512
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98437025
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 46145519
2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 46146470
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46146458

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide (CID 42828252) is N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide is Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccco2)C(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is KDWFUOZHBPBEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c1-18-4-12-22(13-5-18)32-16-24(19-8-10-21(28)11-9-19)29-27(32)30-25(33)17-31(26(34)20-6-7-20)15-23-3-2-14-35-23/h2-5,8-14,16,20H,6-7,15,17H2,1H3,(H,29,30,33).
What are the key properties of N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 488.98 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 42828252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).