N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

C13H13N5O2 — CID 110467875

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)C1=NNC(=O)C1
InChIInChI=1S/C13H13N5O2/c1-18(13(20)10-6-12(19)17-16-10)7-11-14-8-4-2-3-5-9(8)15-11/h2-5H,6-7H2,1H3,(H,14,15)(H,17,19)
InChIKeyBHHPLOSDVOWASL-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.40
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 110467875) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID110467875
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)C1=NNC(=O)C1
InChIInChI=1S/C13H13N5O2/c1-18(13(20)10-6-12(19)17-16-10)7-11-14-8-4-2-3-5-9(8)15-11/h2-5H,6-7H2,1H3,(H,14,15)(H,17,19)
InChIKeyBHHPLOSDVOWASL-UHFFFAOYSA-N
XLogP0.40
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 110467875) is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is CN(Cc1nc2ccccc2[nH]1)C(=O)C1=NNC(=O)C1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is BHHPLOSDVOWASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-18(13(20)10-6-12(19)17-16-10)7-11-14-8-4-2-3-5-9(8)15-11/h2-5H,6-7H2,1H3,(H,14,15)(H,17,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110467875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).