N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

C16H10F3N7O — CID 56964111

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cc(C(F)(F)F)cc2[nH]cnc12
InChIInChI=1S/C16H10F3N7O/c17-16(18,19)9-5-11(13-12(6-9)20-7-21-13)15(27)22-10-3-1-2-8(4-10)14-23-25-26-24-14/h1-7H,(H,20,21)(H,22,27)(H,23,24,25,26)
InChIKeyMQJFWUUNKXRFOL-UHFFFAOYSA-N
MW373.30 g/mol
LogP3.01
Rot. Bonds3

About N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 56964111) has the molecular formula C16H10F3N7O and a molecular weight of 373.30 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
PubChem CID56964111
Molecular FormulaC16H10F3N7O
Molecular Weight373.30 g/mol
Exact Mass373.09
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cc(C(F)(F)F)cc2[nH]cnc12
InChIInChI=1S/C16H10F3N7O/c17-16(18,19)9-5-11(13-12(6-9)20-7-21-13)15(27)22-10-3-1-2-8(4-10)14-23-25-26-24-14/h1-7H,(H,20,21)(H,22,27)(H,23,24,25,26)
InChIKeyMQJFWUUNKXRFOL-UHFFFAOYSA-N
XLogP3.01
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Veliparib
CID 11960529
2-[(2s)-2-Methylpyrrolidin-2-Yl]-1h-Benzimidazole-7-Carboxamide
CID 11842604
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
CID 11960528
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243
2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960733
2-{1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl}-1H-1,3-benzodiazole-4-carboxamide
CID 11961002
2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-1,3-benzodiazole-4-carboxamide
CID 11961006
6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11961092
2-(pyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 18428167
2-[(2R)-pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190718
2-[(2S)-pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190719
2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190732

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (CID 56964111) is N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cc(C(F)(F)F)cc2[nH]cnc12.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is MQJFWUUNKXRFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N7O/c17-16(18,19)9-5-11(13-12(6-9)20-7-21-13)15(27)22-10-3-1-2-8(4-10)14-23-25-26-24-14/h1-7H,(H,20,21)(H,22,27)(H,23,24,25,26).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 373.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 56964111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).