4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine

C25H26ClFN4 — CID 157083171

IUPAC4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1
InChIInChI=1S/C25H26ClFN4/c1-30(2)17-7-9-18(10-8-17)31-15-29-24(16-6-11-22(27)21(26)14-16)25(31)20-12-13-28-23-5-3-4-19(20)23/h3-4,6,11-15,17-18H,5,7-10H2,1-2H3
InChIKeyLNPKVLXFIIILQH-UHFFFAOYSA-N
MW436.96 g/mol
LogP6.02
Rot. Bonds4

About 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine

4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 157083171) has the molecular formula C25H26ClFN4 and a molecular weight of 436.96 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine
PubChem CID157083171
Molecular FormulaC25H26ClFN4
Molecular Weight436.96 g/mol
Exact Mass436.18
IUPAC Name4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1
InChIInChI=1S/C25H26ClFN4/c1-30(2)17-7-9-18(10-8-17)31-15-29-24(16-6-11-22(27)21(26)14-16)25(31)20-12-13-28-23-5-3-4-19(20)23/h3-4,6,11-15,17-18H,5,7-10H2,1-2H3
InChIKeyLNPKVLXFIIILQH-UHFFFAOYSA-N
XLogP6.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine
CID 162159757
4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166991085
4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole
CID 169421846
4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 158274704
5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 170233509
6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 174482983
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 129227368
3-(dimethylamino)-1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
CID 139552383
5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 81165822
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine
CID 67264906

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine (CID 157083171) is 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCC(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is LNPKVLXFIIILQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4/c1-30(2)17-7-9-18(10-8-17)31-15-29-24(16-6-11-22(27)21(26)14-16)25(31)20-12-13-28-23-5-3-4-19(20)23/h3-4,6,11-15,17-18H,5,7-10H2,1-2H3.
What are the key properties of 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine?
4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 436.96 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 157083171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).