N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C19H18FN3O — CID 113201005

IUPACN-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCc1ccc2nc3c(n2c1)CC(C(=O)Nc1ccc(F)cc1)CC3
InChIInChI=1S/C19H18FN3O/c1-12-2-9-18-22-16-8-3-13(10-17(16)23(18)11-12)19(24)21-15-6-4-14(20)5-7-15/h2,4-7,9,11,13H,3,8,10H2,1H3,(H,21,24)
InChIKeyXNMBJXXGVSFVSX-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.53
Rot. Bonds2

About N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113201005) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113201005
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCc1ccc2nc3c(n2c1)CC(C(=O)Nc1ccc(F)cc1)CC3
InChIInChI=1S/C19H18FN3O/c1-12-2-9-18-22-16-8-3-13(10-17(16)23(18)11-12)19(24)21-15-6-4-14(20)5-7-15/h2,4-7,9,11,13H,3,8,10H2,1H3,(H,21,24)
InChIKeyXNMBJXXGVSFVSX-UHFFFAOYSA-N
XLogP3.53
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201034
N-(3-chloro-4-methylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201012
N-(3-bromo-4-methylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201018
N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201029
2-methyl-N-(3-methylbutyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200971
azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200979
2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200923
(4-methylpiperidin-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200908
N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200813
N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-[4-(diethylamino)phenyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201225
N-(4-ethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200833

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113201005) is N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is Cc1ccc2nc3c(n2c1)CC(C(=O)Nc1ccc(F)cc1)CC3.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is XNMBJXXGVSFVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-12-2-9-18-22-16-8-3-13(10-17(16)23(18)11-12)19(24)21-15-6-4-14(20)5-7-15/h2,4-7,9,11,13H,3,8,10H2,1H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113201005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).