4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide

C30H29ClN4O3 — CID 42828159

IUPAC4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC3CC3)C(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C30H29ClN4O3/c1-20-3-13-25(14-4-20)35-18-27(22-9-15-26(38-2)16-10-22)32-30(35)33-28(36)19-34(17-21-5-6-21)29(37)23-7-11-24(31)12-8-23/h3-4,7-16,18,21H,5-6,17,19H2,1-2H3,(H,32,33,36)
InChIKeyDTHJNPUPPMQLML-UHFFFAOYSA-N
MW529.04 g/mol
LogP6.00
Rot. Bonds9

About 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide

4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 42828159) has the molecular formula C30H29ClN4O3 and a molecular weight of 529.04 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID42828159
Molecular FormulaC30H29ClN4O3
Molecular Weight529.04 g/mol
Exact Mass528.19
IUPAC Name4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC3CC3)C(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C30H29ClN4O3/c1-20-3-13-25(14-4-20)35-18-27(22-9-15-26(38-2)16-10-22)32-30(35)33-28(36)19-34(17-21-5-6-21)29(37)23-7-11-24(31)12-8-23/h3-4,7-16,18,21H,5-6,17,19H2,1-2H3,(H,32,33,36)
InChIKeyDTHJNPUPPMQLML-UHFFFAOYSA-N
XLogP6.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46146458
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-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46145711
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46144641
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
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
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 46146420
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98432331
N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
CID 42829783
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 42828399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide (CID 42828159) is 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide is COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC3CC3)C(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is DTHJNPUPPMQLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN4O3/c1-20-3-13-25(14-4-20)35-18-27(22-9-15-26(38-2)16-10-22)32-30(35)33-28(36)19-34(17-21-5-6-21)29(37)23-7-11-24(31)12-8-23/h3-4,7-16,18,21H,5-6,17,19H2,1-2H3,(H,32,33,36).
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide?
4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 529.04 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42828159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).