N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide

C11H13N3O2 — CID 70877342

IUPACN-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCCO)cc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-7-13-9-3-2-8(6-10(9)14-7)11(16)12-4-5-15/h2-3,6,15H,4-5H2,1H3,(H,12,16)(H,13,14)
InChIKeyCTUXGZAMAWALFJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.59
Rot. Bonds3

About N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide

N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 70877342) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID70877342
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCCO)cc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-7-13-9-3-2-8(6-10(9)14-7)11(16)12-4-5-15/h2-3,6,15H,4-5H2,1H3,(H,12,16)(H,13,14)
InChIKeyCTUXGZAMAWALFJ-UHFFFAOYSA-N
XLogP0.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232
2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 115272852

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide (CID 70877342) is N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCCO)cc2[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is CTUXGZAMAWALFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-13-9-3-2-8(6-10(9)14-7)11(16)12-4-5-15/h2-3,6,15H,4-5H2,1H3,(H,12,16)(H,13,14).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide?
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70877342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).