N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide

C30H27Cl2FN8O — CID 174651929

IUPACN-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccnc1-c1ccc(Cl)cc1-n1c(C2CCCCC2)nc(-c2nn[nH]n2)c1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C30H27Cl2FN8O/c1-17(42)40(2)24-9-6-14-34-26(24)21-12-11-20(31)16-25(21)41-28(19-10-13-23(33)22(32)15-19)27(29-36-38-39-37-29)35-30(41)18-7-4-3-5-8-18/h6,9-16,18H,3-5,7-8H2,1-2H3,(H,36,37,38,39)
InChIKeyLRDOLARUKFBARZ-UHFFFAOYSA-N
MW605.51 g/mol
LogP7.26
Rot. Bonds6

About N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide

N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide (PubChem CID 174651929) has the molecular formula C30H27Cl2FN8O and a molecular weight of 605.51 g/mol. Its IUPAC name is N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide
PubChem CID174651929
Molecular FormulaC30H27Cl2FN8O
Molecular Weight605.51 g/mol
Exact Mass604.17
IUPAC NameN-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccnc1-c1ccc(Cl)cc1-n1c(C2CCCCC2)nc(-c2nn[nH]n2)c1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C30H27Cl2FN8O/c1-17(42)40(2)24-9-6-14-34-26(24)21-12-11-20(31)16-25(21)41-28(19-10-13-23(33)22(32)15-19)27(29-36-38-39-37-29)35-30(41)18-7-4-3-5-8-18/h6,9-16,18H,3-5,7-8H2,1-2H3,(H,36,37,38,39)
InChIKeyLRDOLARUKFBARZ-UHFFFAOYSA-N
XLogP7.26
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.51
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
CID 67032499
N-butyl-2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]acetamide
CID 175273399
3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol
CID 67032721
2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid
CID 67954203
2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
CID 175273459
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67954434
1-[2-(acetamidomethyl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67031990
2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chlorophenyl]-3,3-dimethylbutanamide
CID 142789828
5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 81165822
1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide
CID 88531092
5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67031816
2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide
CID 67954180

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide?
The IUPAC name of N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide (CID 174651929) is N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide?
The canonical SMILES for N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide is CC(=O)N(C)c1cccnc1-c1ccc(Cl)cc1-n1c(C2CCCCC2)nc(-c2nn[nH]n2)c1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide?
The InChIKey is LRDOLARUKFBARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2FN8O/c1-17(42)40(2)24-9-6-14-34-26(24)21-12-11-20(31)16-25(21)41-28(19-10-13-23(33)22(32)15-19)27(29-36-38-39-37-29)35-30(41)18-7-4-3-5-8-18/h6,9-16,18H,3-5,7-8H2,1-2H3,(H,36,37,38,39).
What are the key properties of N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide?
N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide has a molecular weight of 605.51 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 174651929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).