4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide

C22H21Cl2N3O — CID 10112443

IUPAC4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C22H21Cl2N3O/c23-16-10-6-14(7-11-16)19-20(15-8-12-17(24)13-9-15)27-21(26-19)22(28)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,25,28)(H,26,27)
InChIKeyGOWAJQWDPFWVDT-UHFFFAOYSA-N
MW414.34 g/mol
LogP6.11
Rot. Bonds4

About 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide

4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide (PubChem CID 10112443) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide
PubChem CID10112443
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C22H21Cl2N3O/c23-16-10-6-14(7-11-16)19-20(15-8-12-17(24)13-9-15)27-21(26-19)22(28)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,25,28)(H,26,27)
InChIKeyGOWAJQWDPFWVDT-UHFFFAOYSA-N
XLogP6.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide?
The IUPAC name of 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide (CID 10112443) is 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide is O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide?
The InChIKey is GOWAJQWDPFWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c23-16-10-6-14(7-11-16)19-20(15-8-12-17(24)13-9-15)27-21(26-19)22(28)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,25,28)(H,26,27).
What are the key properties of 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide?
4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide has a molecular weight of 414.34 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 10112443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).