N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide

C27H32ClN5O2 — CID 42826520

IUPACN-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)C2CC2)cc1C
InChIInChI=1S/C27H32ClN5O2/c1-18-5-12-23(15-19(18)2)33-16-24(20-8-10-22(28)11-9-20)29-27(33)30-25(34)17-32(14-13-31(3)4)26(35)21-6-7-21/h5,8-12,15-16,21H,6-7,13-14,17H2,1-4H3,(H,29,30,34)
InChIKeyBPAONFBYWPGCKU-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.55
Rot. Bonds9

About N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide

N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 42826520) has the molecular formula C27H32ClN5O2 and a molecular weight of 494.04 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
PubChem CID42826520
Molecular FormulaC27H32ClN5O2
Molecular Weight494.04 g/mol
Exact Mass493.22
IUPAC NameN-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)C2CC2)cc1C
InChIInChI=1S/C27H32ClN5O2/c1-18-5-12-23(15-19(18)2)33-16-24(20-8-10-22(28)11-9-20)29-27(33)30-25(34)17-32(14-13-31(3)4)26(35)21-6-7-21/h5,8-12,15-16,21H,6-7,13-14,17H2,1-4H3,(H,29,30,34)
InChIKeyBPAONFBYWPGCKU-UHFFFAOYSA-N
XLogP4.55
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[2-(dimethylamino)ethyl]cyclopentanecarboxamide
CID 42830512
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 42826521
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42827233
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42830515
N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide
CID 93150451
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98438256
N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]acetamide
CID 46144666
2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98438252
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 42828252
4-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405658
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98441779

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide (CID 42826520) is N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide is Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)C2CC2)cc1C.
What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is BPAONFBYWPGCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O2/c1-18-5-12-23(15-19(18)2)33-16-24(20-8-10-22(28)11-9-20)29-27(33)30-25(34)17-32(14-13-31(3)4)26(35)21-6-7-21/h5,8-12,15-16,21H,6-7,13-14,17H2,1-4H3,(H,29,30,34).
What are the key properties of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide?
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 494.04 g/mol, XLogP of 4.55, 9 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-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 42826520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).