N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide

C24H28Cl2N4O — CID 142992071

IUPACN-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)c1CNC(C)C
InChIInChI=1S/C24H28Cl2N4O/c1-4-5-14-27-24(31)22-21(15-28-16(2)3)30(18-12-10-17(25)11-13-18)23(29-22)19-8-6-7-9-20(19)26/h6-13,16,28H,4-5,14-15H2,1-3H3,(H,27,31)
InChIKeyGISXLQRMMYYQLF-UHFFFAOYSA-N
MW459.42 g/mol
LogP5.87
Rot. Bonds9

About N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide

N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide (PubChem CID 142992071) has the molecular formula C24H28Cl2N4O and a molecular weight of 459.42 g/mol. Its IUPAC name is N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide
PubChem CID142992071
Molecular FormulaC24H28Cl2N4O
Molecular Weight459.42 g/mol
Exact Mass458.16
IUPAC NameN-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)c1CNC(C)C
InChIInChI=1S/C24H28Cl2N4O/c1-4-5-14-27-24(31)22-21(15-28-16(2)3)30(18-12-10-17(25)11-13-18)23(29-22)19-8-6-7-9-20(19)26/h6-13,16,28H,4-5,14-15H2,1-3H3,(H,27,31)
InChIKeyGISXLQRMMYYQLF-UHFFFAOYSA-N
XLogP5.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide
CID 25168166
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
CID 172783819
ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate
CID 91173919
[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 174473520
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 24748218
1,5-bis(4-chlorophenyl)-N-hexadecyl-1,2,4-triazole-3-carboxamide
CID 71583524
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide
CID 58961385
chloromethane;[1-(4-chlorophenyl)-2-[(5Z)-octa-1,5-dien-4-yl]-5-[(propan-2-ylamino)methyl]imidazol-4-yl]-piperidin-1-ylmethanone
CID 142992075
2-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-pentyl-1,3-thiazole-4-carboxamide
CID 5243261
2-[[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide
CID 3972421
5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride
CID 174473468

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide?
The IUPAC name of N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide (CID 142992071) is N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide is CCCCNC(=O)c1nc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)c1CNC(C)C.
What is the InChIKey of N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide?
The InChIKey is GISXLQRMMYYQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O/c1-4-5-14-27-24(31)22-21(15-28-16(2)3)30(18-12-10-17(25)11-13-18)23(29-22)19-8-6-7-9-20(19)26/h6-13,16,28H,4-5,14-15H2,1-3H3,(H,27,31).
What are the key properties of N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide?
N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide has a molecular weight of 459.42 g/mol, XLogP of 5.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 142992071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).