2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide

C32H29ClN4O6 — CID 46146470

IUPAC2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C32H29ClN4O6/c1-40-23-13-10-21(11-14-23)27-19-37(22-12-15-28(41-2)29(17-22)42-3)32(34-27)35-30(38)20-36(18-24-7-6-16-43-24)31(39)25-8-4-5-9-26(25)33/h4-17,19H,18,20H2,1-3H3,(H,34,35,38)
InChIKeyBFTGOVFGZDNMPF-UHFFFAOYSA-N
MW601.06 g/mol
LogP6.09
Rot. Bonds11

About 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide

2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 46146470) has the molecular formula C32H29ClN4O6 and a molecular weight of 601.06 g/mol. Its IUPAC name is 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID46146470
Molecular FormulaC32H29ClN4O6
Molecular Weight601.06 g/mol
Exact Mass600.18
IUPAC Name2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C32H29ClN4O6/c1-40-23-13-10-21(11-14-23)27-19-37(22-12-15-28(41-2)29(17-22)42-3)32(34-27)35-30(38)20-36(18-24-7-6-16-43-24)31(39)25-8-4-5-9-26(25)33/h4-17,19H,18,20H2,1-3H3,(H,34,35,38)
InChIKeyBFTGOVFGZDNMPF-UHFFFAOYSA-N
XLogP6.09
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.06
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830499
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-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 42826819
4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42826365
2-[acetyl(benzyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830534
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 83289422
2-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405670
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145594
N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
CID 42825358
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42828506
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbenzamide
CID 42827171
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830543

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide (CID 46146470) is 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide is COc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is BFTGOVFGZDNMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4O6/c1-40-23-13-10-21(11-14-23)27-19-37(22-12-15-28(41-2)29(17-22)42-3)32(34-27)35-30(38)20-36(18-24-7-6-16-43-24)31(39)25-8-4-5-9-26(25)33/h4-17,19H,18,20H2,1-3H3,(H,34,35,38).
What are the key properties of 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?
2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 601.06 g/mol, XLogP of 6.09, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 46146470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).