N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide

C13H11F2N5O — CID 75391625

IUPACN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cn1
InChIInChI=1S/C13H11F2N5O/c1-20-6-7(5-16-20)13(21)17-8-2-3-9-10(4-8)19-12(18-9)11(14)15/h2-6,11H,1H3,(H,17,21)(H,18,19)
InChIKeyHOJJCTFXRFQHBX-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.49
Rot. Bonds3

About N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide

N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 75391625) has the molecular formula C13H11F2N5O and a molecular weight of 291.26 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
PubChem CID75391625
Molecular FormulaC13H11F2N5O
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cn1
InChIInChI=1S/C13H11F2N5O/c1-20-6-7(5-16-20)13(21)17-8-2-3-9-10(4-8)19-12(18-9)11(14)15/h2-6,11H,1H3,(H,17,21)(H,18,19)
InChIKeyHOJJCTFXRFQHBX-UHFFFAOYSA-N
XLogP2.49
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide (CID 75391625) is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cn1.
What is the InChIKey of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is HOJJCTFXRFQHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O/c1-20-6-7(5-16-20)13(21)17-8-2-3-9-10(4-8)19-12(18-9)11(14)15/h2-6,11H,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide?
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 291.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75391625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).