2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide

C17H21N5O2 — CID 136566132

IUPAC2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2nc(CO)[nH]c2c1)c1cnn(C)c1
InChIInChI=1S/C17H21N5O2/c1-10(2)16(12-7-18-22(3)8-12)21-17(24)11-4-5-13-14(6-11)20-15(9-23)19-13/h4-8,10,16,23H,9H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyOFZQCBKJMSGCHX-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.92
Rot. Bonds5

About 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide

2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide (PubChem CID 136566132) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide
PubChem CID136566132
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2nc(CO)[nH]c2c1)c1cnn(C)c1
InChIInChI=1S/C17H21N5O2/c1-10(2)16(12-7-18-22(3)8-12)21-17(24)11-4-5-13-14(6-11)20-15(9-23)19-13/h4-8,10,16,23H,9H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyOFZQCBKJMSGCHX-UHFFFAOYSA-N
XLogP1.92
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide (CID 136566132) is 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide is CC(C)C(NC(=O)c1ccc2nc(CO)[nH]c2c1)c1cnn(C)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OFZQCBKJMSGCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(2)16(12-7-18-22(3)8-12)21-17(24)11-4-5-13-14(6-11)20-15(9-23)19-13/h4-8,10,16,23H,9H2,1-3H3,(H,19,20)(H,21,24).
What are the key properties of 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide?
2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 136566132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).