1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide

C28H26Cl2N4O2 — CID 50996418

IUPAC1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C28H26Cl2N4O2/c29-22-9-4-8-21(18-22)26-25(28(35)31-12-13-33-14-16-36-17-15-33)32-27(20-6-2-1-3-7-20)34(26)24-11-5-10-23(30)19-24/h1-11,18-19H,12-17H2,(H,31,35)
InChIKeyHZKJGUYPPGGGEC-UHFFFAOYSA-N
MW521.45 g/mol
LogP5.58
Rot. Bonds7

About 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide

1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide (PubChem CID 50996418) has the molecular formula C28H26Cl2N4O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide
PubChem CID50996418
Molecular FormulaC28H26Cl2N4O2
Molecular Weight521.45 g/mol
Exact Mass520.14
IUPAC Name1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C28H26Cl2N4O2/c29-22-9-4-8-21(18-22)26-25(28(35)31-12-13-33-14-16-36-17-15-33)32-27(20-6-2-1-3-7-20)34(26)24-11-5-10-23(30)19-24/h1-11,18-19H,12-17H2,(H,31,35)
InChIKeyHZKJGUYPPGGGEC-UHFFFAOYSA-N
XLogP5.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4576754
N-(2-morpholin-4-ylethyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916111
N-(2-morpholin-4-ylethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 35994381
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
6-(3-chloroanilino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366518
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide?
The IUPAC name of 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide (CID 50996418) is 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide.
What is the SMILES notation for 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide?
The canonical SMILES for 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide is O=C(NCCN1CCOCC1)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1.
What is the InChIKey of 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide?
The InChIKey is HZKJGUYPPGGGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O2/c29-22-9-4-8-21(18-22)26-25(28(35)31-12-13-33-14-16-36-17-15-33)32-27(20-6-2-1-3-7-20)34(26)24-11-5-10-23(30)19-24/h1-11,18-19H,12-17H2,(H,31,35).
What are the key properties of 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide?
1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide has a molecular weight of 521.45 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide is sourced from PubChem (CID 50996418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).