N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C23H22FN5O2 — CID 174274835

IUPACN-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCN(Cc1ccccc1F)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1
InChIInChI=1S/C23H22FN5O2/c1-28(14-17-5-3-4-6-18(17)24)21-10-7-15(12-25-21)13-26-22(30)16-8-9-20-19(11-16)27-23(31)29(20)2/h3-12H,13-14H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyQYTPCFGSNFMHJR-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.97
Rot. Bonds6

About N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 174274835) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID174274835
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCN(Cc1ccccc1F)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1
InChIInChI=1S/C23H22FN5O2/c1-28(14-17-5-3-4-6-18(17)24)21-10-7-15(12-25-21)13-26-22(30)16-8-9-20-19(11-16)27-23(31)29(20)2/h3-12H,13-14H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyQYTPCFGSNFMHJR-UHFFFAOYSA-N
XLogP2.97
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide 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

N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 170765084
N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 171652065
1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174335696
N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 170765149
1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 174335230
1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174271887
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156545
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
CID 110721787
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 55621111
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46679781

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 174274835) is N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is CN(Cc1ccccc1F)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1.
What is the InChIKey of N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is QYTPCFGSNFMHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-28(14-17-5-3-4-6-18(17)24)21-10-7-15(12-25-21)13-26-22(30)16-8-9-20-19(11-16)27-23(31)29(20)2/h3-12H,13-14H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 174274835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).