3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide

C14H15N5O — CID 110469163

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2ccc3ncn(C)c3c2)cn1
InChIInChI=1S/C14H15N5O/c1-18-9-16-12-4-3-11(5-13(12)18)14(20)15-6-10-7-17-19(2)8-10/h3-5,7-9H,6H2,1-2H3,(H,15,20)
InChIKeyJUMQEASZRZGBEC-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.24
Rot. Bonds3

About 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide (PubChem CID 110469163) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
PubChem CID110469163
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2ccc3ncn(C)c3c2)cn1
InChIInChI=1S/C14H15N5O/c1-18-9-16-12-4-3-11(5-13(12)18)14(20)15-6-10-7-17-19(2)8-10/h3-5,7-9H,6H2,1-2H3,(H,15,20)
InChIKeyJUMQEASZRZGBEC-UHFFFAOYSA-N
XLogP1.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide (CID 110469163) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide is Cn1cc(CNC(=O)c2ccc3ncn(C)c3c2)cn1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide?
The InChIKey is JUMQEASZRZGBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18-9-16-12-4-3-11(5-13(12)18)14(20)15-6-10-7-17-19(2)8-10/h3-5,7-9H,6H2,1-2H3,(H,15,20).
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide?
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 110469163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).