N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide

C30H30Cl2N4O2 — CID 69235878

IUPACN-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCCC[C@H]2N)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H30Cl2N4O2/c1-19-28(30(37)34-27-10-6-5-9-26(27)33)35-29(24-16-11-21(31)17-25(24)32)36(19)22-12-14-23(15-13-22)38-18-20-7-3-2-4-8-20/h2-4,7-8,11-17,26-27H,5-6,9-10,18,33H2,1H3,(H,34,37)/t26-,27+/m1/s1
InChIKeyQERFUYHTEPOBJM-SXOMAYOGSA-N
MW549.50 g/mol
LogP6.73
Rot. Bonds7

About N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide

N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide (PubChem CID 69235878) has the molecular formula C30H30Cl2N4O2 and a molecular weight of 549.50 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide
PubChem CID69235878
Molecular FormulaC30H30Cl2N4O2
Molecular Weight549.50 g/mol
Exact Mass548.17
IUPAC NameN-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCCC[C@H]2N)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H30Cl2N4O2/c1-19-28(30(37)34-27-10-6-5-9-26(27)33)35-29(24-16-11-21(31)17-25(24)32)36(19)22-12-14-23(15-13-22)38-18-20-7-3-2-4-8-20/h2-4,7-8,11-17,26-27H,5-6,9-10,18,33H2,1H3,(H,34,37)/t26-,27+/m1/s1
InChIKeyQERFUYHTEPOBJM-SXOMAYOGSA-N
XLogP6.73
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.50
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide (CID 69235878) is N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide is Cc1c(C(=O)N[C@H]2CCCC[C@H]2N)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide?
The InChIKey is QERFUYHTEPOBJM-SXOMAYOGSA-N. The full InChI is InChI=1S/C30H30Cl2N4O2/c1-19-28(30(37)34-27-10-6-5-9-26(27)33)35-29(24-16-11-21(31)17-25(24)32)36(19)22-12-14-23(15-13-22)38-18-20-7-3-2-4-8-20/h2-4,7-8,11-17,26-27H,5-6,9-10,18,33H2,1H3,(H,34,37)/t26-,27+/m1/s1.
What are the key properties of N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide?
N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide has a molecular weight of 549.50 g/mol, XLogP of 6.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 69235878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).