2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride

C11H15ClN4O — CID 119326371

IUPAC2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
SMILESCc1ccc2nc(CNC(=O)CN)[nH]c2c1.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-7-2-3-8-9(4-7)15-10(14-8)6-13-11(16)5-12;/h2-4H,5-6,12H2,1H3,(H,13,16)(H,14,15);1H
InChIKeyPJUAJKSYGLJGKT-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.87
Rot. Bonds3

About 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride

2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride (PubChem CID 119326371) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
PubChem CID119326371
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
SMILESCc1ccc2nc(CNC(=O)CN)[nH]c2c1.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-7-2-3-8-9(4-7)15-10(14-8)6-13-11(16)5-12;/h2-4H,5-6,12H2,1H3,(H,13,16)(H,14,15);1H
InChIKeyPJUAJKSYGLJGKT-UHFFFAOYSA-N
XLogP0.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
CID 120991479
(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 92708257
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
CID 30158519
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70779648
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 121241058
N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
CID 124703638

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride (CID 119326371) is 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride is Cc1ccc2nc(CNC(=O)CN)[nH]c2c1.Cl.
What is the InChIKey of 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride?
The InChIKey is PJUAJKSYGLJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.ClH/c1-7-2-3-8-9(4-7)15-10(14-8)6-13-11(16)5-12;/h2-4H,5-6,12H2,1H3,(H,13,16)(H,14,15);1H.
What are the key properties of 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride?
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119326371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).