N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide

C24H25BrCl2N4O3 — CID 23903155

IUPACN-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3cccc(Br)c3)CCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H25BrCl2N4O3/c25-16-3-1-2-14(12-16)23(33)30-10-11-31(24(34)15-4-9-19(26)20(27)13-15)22(30)21(32)29-18-7-5-17(28)6-8-18/h1-4,9,12-13,17-18,22H,5-8,10-11,28H2,(H,29,32)
InChIKeyHGJWMYMQZDLIOG-UHFFFAOYSA-N
MW568.30 g/mol
LogP4.07
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide (PubChem CID 23903155) has the molecular formula C24H25BrCl2N4O3 and a molecular weight of 568.30 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
PubChem CID23903155
Molecular FormulaC24H25BrCl2N4O3
Molecular Weight568.30 g/mol
Exact Mass566.05
IUPAC NameN-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3cccc(Br)c3)CCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H25BrCl2N4O3/c25-16-3-1-2-14(12-16)23(33)30-10-11-31(24(34)15-4-9-19(26)20(27)13-15)22(30)21(32)29-18-7-5-17(28)6-8-18/h1-4,9,12-13,17-18,22H,5-8,10-11,28H2,(H,29,32)
InChIKeyHGJWMYMQZDLIOG-UHFFFAOYSA-N
XLogP4.07
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.30
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
CID 23990040
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280
2-N-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23876800
N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)-1,3-diazinane-2-carboxamide
CID 23879217
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23740092
phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
CID 23884026
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23934588
N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide
CID 23821148
N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
CID 23884474
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23821876
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23912600

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide (CID 23903155) is N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide is NC1CCC(NC(=O)C2N(C(=O)c3cccc(Br)c3)CCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide?
The InChIKey is HGJWMYMQZDLIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrCl2N4O3/c25-16-3-1-2-14(12-16)23(33)30-10-11-31(24(34)15-4-9-19(26)20(27)13-15)22(30)21(32)29-18-7-5-17(28)6-8-18/h1-4,9,12-13,17-18,22H,5-8,10-11,28H2,(H,29,32).
What are the key properties of N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide has a molecular weight of 568.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23903155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).