6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide

C15H15FN4O — CID 46953664

IUPAC6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide
SMILESCN(Cc1cccn1C)C(=O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H15FN4O/c1-19-7-3-4-11(19)9-20(2)15(21)14-17-12-6-5-10(16)8-13(12)18-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyIIOCNNUMWXWKDO-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.31
Rot. Bonds3

About 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide

6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide (PubChem CID 46953664) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide
PubChem CID46953664
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide
SMILESCN(Cc1cccn1C)C(=O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H15FN4O/c1-19-7-3-4-11(19)9-20(2)15(21)14-17-12-6-5-10(16)8-13(12)18-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyIIOCNNUMWXWKDO-UHFFFAOYSA-N
XLogP2.31
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 56874874
2-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 100788170
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759842
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 70742457
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 122566230
1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[2-(1-methylpyrrol-2-yl)ethyl]urea;formic acid
CID 154910515
(2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97246224
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopropanecarboxamide
CID 134792878
2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 91829331
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 70784686
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137094516
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pentanamide
CID 10750888

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide (CID 46953664) is 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide is CN(Cc1cccn1C)C(=O)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is IIOCNNUMWXWKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-19-7-3-4-11(19)9-20(2)15(21)14-17-12-6-5-10(16)8-13(12)18-14/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide?
6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 46953664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).