2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide

C18H14F3N7O — CID 154851273

IUPAC2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide
SMILESCn1nnc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H14F3N7O/c1-27-25-15(24-26-27)16(29)23-17-22-13-7-2-3-8-14(13)28(17)10-11-5-4-6-12(9-11)18(19,20)21/h2-9H,10H2,1H3,(H,22,23,29)
InChIKeyWKYOBFTWDWVGMD-UHFFFAOYSA-N
MW401.35 g/mol
LogP2.88
Rot. Bonds4

About 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide

2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide (PubChem CID 154851273) has the molecular formula C18H14F3N7O and a molecular weight of 401.35 g/mol. Its IUPAC name is 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide
PubChem CID154851273
Molecular FormulaC18H14F3N7O
Molecular Weight401.35 g/mol
Exact Mass401.12
IUPAC Name2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide
SMILESCn1nnc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H14F3N7O/c1-27-25-15(24-26-27)16(29)23-17-22-13-7-2-3-8-14(13)28(17)10-11-5-4-6-12(9-11)18(19,20)21/h2-9H,10H2,1H3,(H,22,23,29)
InChIKeyWKYOBFTWDWVGMD-UHFFFAOYSA-N
XLogP2.88
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[[2-(methylamino)benzimidazol-1-yl]methyl]benzoic acid
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N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
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N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773
(3R)-N-[5-carbamoyl-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide (CID 154851273) is 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide is Cn1nnc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide?
The InChIKey is WKYOBFTWDWVGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7O/c1-27-25-15(24-26-27)16(29)23-17-22-13-7-2-3-8-14(13)28(17)10-11-5-4-6-12(9-11)18(19,20)21/h2-9H,10H2,1H3,(H,22,23,29).
What are the key properties of 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide?
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]tetrazole-5-carboxamide is sourced from PubChem (CID 154851273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).