2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane

C16H25N3O2 — CID 142501212

IUPAC2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane
SMILESCC(C)CNC(=O)c1cccc2[nH]c(CO)nc12.CCC
InChIInChI=1S/C13H17N3O2.C3H8/c1-8(2)6-14-13(18)9-4-3-5-10-12(9)16-11(7-17)15-10;1-3-2/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,16);3H2,1-2H3
InChIKeyGXPWOUKAQUFDHJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.86
Rot. Bonds4

About 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane

2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane (PubChem CID 142501212) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane
PubChem CID142501212
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane
SMILESCC(C)CNC(=O)c1cccc2[nH]c(CO)nc12.CCC
InChIInChI=1S/C13H17N3O2.C3H8/c1-8(2)6-14-13(18)9-4-3-5-10-12(9)16-11(7-17)15-10;1-3-2/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,16);3H2,1-2H3
InChIKeyGXPWOUKAQUFDHJ-UHFFFAOYSA-N
XLogP2.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
methyl 2-(3-methylbutyl)-1H-benzimidazole-4-carboxylate
CID 113293359
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
3-formamido-2-methyl-N-(2-methylpropyl)benzamide
CID 168651028
2-(hydroxymethyl)-N-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-1H-benzimidazole-4-carboxamide
CID 166368989
4-[[(4-cyano-1H-benzimidazol-2-yl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 172634410
2-(3-methoxybutyl)-1H-benzimidazole-4-carboxylic acid
CID 113382181
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane?
The IUPAC name of 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane (CID 142501212) is 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane.
What is the SMILES notation for 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane?
The canonical SMILES for 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane is CC(C)CNC(=O)c1cccc2[nH]c(CO)nc12.CCC.
What is the InChIKey of 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane?
The InChIKey is GXPWOUKAQUFDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.C3H8/c1-8(2)6-14-13(18)9-4-3-5-10-12(9)16-11(7-17)15-10;1-3-2/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,16);3H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane?
2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane has a molecular weight of 291.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide;propane is sourced from PubChem (CID 142501212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).