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

C31H27ClN4O4 — CID 46146420

IUPACN-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccco2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H27ClN4O4/c1-21-5-7-23(8-6-21)30(38)35(18-27-4-3-17-40-27)20-29(37)34-31-33-28(22-9-11-24(32)12-10-22)19-36(31)25-13-15-26(39-2)16-14-25/h3-17,19H,18,20H2,1-2H3,(H,33,34,37)
InChIKeyUMERNSBOQLWOGI-UHFFFAOYSA-N
MW555.03 g/mol
LogP6.38
Rot. Bonds9

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

N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 46146420) has the molecular formula C31H27ClN4O4 and a molecular weight of 555.03 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID46146420
Molecular FormulaC31H27ClN4O4
Molecular Weight555.03 g/mol
Exact Mass554.17
IUPAC NameN-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccco2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H27ClN4O4/c1-21-5-7-23(8-6-21)30(38)35(18-27-4-3-17-40-27)20-29(37)34-31-33-28(22-9-11-24(32)12-10-22)19-36(31)25-13-15-26(39-2)16-14-25/h3-17,19H,18,20H2,1-2H3,(H,33,34,37)
InChIKeyUMERNSBOQLWOGI-UHFFFAOYSA-N
XLogP6.38
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.03
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(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
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
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-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 42828252
4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42828159
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46146458
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
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-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
CID 42829783
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 46145530

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 46146420) is N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide is COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccco2)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is UMERNSBOQLWOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN4O4/c1-21-5-7-23(8-6-21)30(38)35(18-27-4-3-17-40-27)20-29(37)34-31-33-28(22-9-11-24(32)12-10-22)19-36(31)25-13-15-26(39-2)16-14-25/h3-17,19H,18,20H2,1-2H3,(H,33,34,37).
What are the key properties of N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 555.03 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 46146420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).