N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

C13H11FN4O — CID 71867281

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc[nH]1
InChIInChI=1S/C13H11FN4O/c14-8-3-4-9-11(6-8)18-12(17-9)7-16-13(19)10-2-1-5-15-10/h1-6,15H,7H2,(H,16,19)(H,17,18)
InChIKeyGSHUNTZCXGSBDI-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.96
Rot. Bonds3

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 71867281) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID71867281
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc[nH]1
InChIInChI=1S/C13H11FN4O/c14-8-3-4-9-11(6-8)18-12(17-9)7-16-13(19)10-2-1-5-15-10/h1-6,15H,7H2,(H,16,19)(H,17,18)
InChIKeyGSHUNTZCXGSBDI-UHFFFAOYSA-N
XLogP1.96
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 131898907
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
CID 90648663
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46985250
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941709
(2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119885407
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (CID 71867281) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc[nH]1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GSHUNTZCXGSBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-8-3-4-9-11(6-8)18-12(17-9)7-16-13(19)10-2-1-5-15-10/h1-6,15H,7H2,(H,16,19)(H,17,18).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 258.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71867281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).