N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide

C13H13N5O — CID 29025706

IUPACN-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H13N5O/c1-18(7-10-4-5-16-17-10)13(19)9-2-3-11-12(6-9)15-8-14-11/h2-6,8H,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyZRXFOWSCTKATEF-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.56
Rot. Bonds3

About N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide

N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 29025706) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID29025706
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H13N5O/c1-18(7-10-4-5-16-17-10)13(19)9-2-3-11-12(6-9)15-8-14-11/h2-6,8H,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyZRXFOWSCTKATEF-UHFFFAOYSA-N
XLogP1.56
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434
N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 160963880
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 71869742
4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 162633536
3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106421
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 24688082

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 29025706) is N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide is CN(Cc1ccn[nH]1)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ZRXFOWSCTKATEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18(7-10-4-5-16-17-10)13(19)9-2-3-11-12(6-9)15-8-14-11/h2-6,8H,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide?
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 29025706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).