5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C20H18ClFN4O — CID 143944200

IUPAC5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(F)cc2)nc2c1CN(Cc1cc(Cl)ccc1N=O)CC2
InChIInChI=1S/C20H18ClFN4O/c1-25-19-12-26(11-14-10-15(21)4-7-17(14)24-27)9-8-18(19)23-20(25)13-2-5-16(22)6-3-13/h2-7,10H,8-9,11-12H2,1H3
InChIKeyNACLTTFMIXRCAL-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.84
Rot. Bonds4

About 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 143944200) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID143944200
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(F)cc2)nc2c1CN(Cc1cc(Cl)ccc1N=O)CC2
InChIInChI=1S/C20H18ClFN4O/c1-25-19-12-26(11-14-10-15(21)4-7-17(14)24-27)9-8-18(19)23-20(25)13-2-5-16(22)6-3-13/h2-7,10H,8-9,11-12H2,1H3
InChIKeyNACLTTFMIXRCAL-UHFFFAOYSA-N
XLogP4.84
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916327
2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 136631599
2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944225
ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium
CID 143944168
3-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944253
2-(4-fluorophenyl)-3-methyl-5-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916420
5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916324
2-[(3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 70916412
1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea
CID 70916338
[difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane
CID 143944150
3-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methylaniline
CID 143944109
[(E)-but-2-en-2-yl] 4-[(3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]benzoate
CID 143944114

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 143944200) is 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1c(-c2ccc(F)cc2)nc2c1CN(Cc1cc(Cl)ccc1N=O)CC2.
What is the InChIKey of 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is NACLTTFMIXRCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-25-19-12-26(11-14-10-15(21)4-7-17(14)24-27)9-8-18(19)23-20(25)13-2-5-16(22)6-3-13/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 384.84 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 143944200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).