N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C23H21FN4O2 — CID 170765084

IUPACN-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC(c1ccc(F)cc1)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1
InChIInChI=1S/C23H21FN4O2/c1-14(16-4-7-18(24)8-5-16)19-9-3-15(12-25-19)13-26-22(29)17-6-10-21-20(11-17)27-23(30)28(21)2/h3-12,14H,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyUXFBKFLAFRCKKA-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.48
Rot. Bonds5

About N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 170765084) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID170765084
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC(c1ccc(F)cc1)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1
InChIInChI=1S/C23H21FN4O2/c1-14(16-4-7-18(24)8-5-16)19-9-3-15(12-25-19)13-26-22(29)17-6-10-21-20(11-17)27-23(30)28(21)2/h3-12,14H,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyUXFBKFLAFRCKKA-UHFFFAOYSA-N
XLogP3.48
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 174274835
1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174335696
N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 171652065
1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174271887
1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 174335230
N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 170765149
N-[[3-[(4-amino-3-methanimidoylphenyl)methoxy]-4-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 174333434
3-methyl-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 38529623
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717
ethyl N-[(1-methyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]carbamate
CID 86844759
N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51114332
1-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20975005

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 170765084) is N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is CC(c1ccc(F)cc1)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1.
What is the InChIKey of N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is UXFBKFLAFRCKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14(16-4-7-18(24)8-5-16)19-9-3-15(12-25-19)13-26-22(29)17-6-10-21-20(11-17)27-23(30)28(21)2/h3-12,14H,13H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 170765084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).