6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide

C13H13F2N5O — CID 136564670

IUPAC6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCc2nc[nH]c2C1)c1cc(C(F)F)ncn1
InChIInChI=1S/C13H13F2N5O/c14-12(15)10-4-11(19-6-18-10)13(21)20-7-1-2-8-9(3-7)17-5-16-8/h4-7,12H,1-3H2,(H,16,17)(H,20,21)
InChIKeyMWWMUHAFSFKYQX-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.42
Rot. Bonds3

About 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide

6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 136564670) has the molecular formula C13H13F2N5O and a molecular weight of 293.28 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide
PubChem CID136564670
Molecular FormulaC13H13F2N5O
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCc2nc[nH]c2C1)c1cc(C(F)F)ncn1
InChIInChI=1S/C13H13F2N5O/c14-12(15)10-4-11(19-6-18-10)13(21)20-7-1-2-8-9(3-7)17-5-16-8/h4-7,12H,1-3H2,(H,16,17)(H,20,21)
InChIKeyMWWMUHAFSFKYQX-UHFFFAOYSA-N
XLogP1.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide
CID 138996238
4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide
CID 136564667
6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide
CID 136586349
6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide
CID 146139892
N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71912680
2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide
CID 138996252
N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640002
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138998287
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid
CID 91571309
6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide
CID 138054249

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide (CID 136564670) is 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide is O=C(NC1CCc2nc[nH]c2C1)c1cc(C(F)F)ncn1.
What is the InChIKey of 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is MWWMUHAFSFKYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O/c14-12(15)10-4-11(19-6-18-10)13(21)20-7-1-2-8-9(3-7)17-5-16-8/h4-7,12H,1-3H2,(H,16,17)(H,20,21).
What are the key properties of 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 136564670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).