2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride

C13H19ClN4O2 — CID 120991479

IUPAC2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1nc2ccc(C)cc2[nH]1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-8-3-4-10-11(5-8)17-12(16-10)6-15-13(18)9(14)7-19-2;/h3-5,9H,6-7,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyLIYZTCOQDMZMLR-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.88
Rot. Bonds5

About 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride (PubChem CID 120991479) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
PubChem CID120991479
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1nc2ccc(C)cc2[nH]1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-8-3-4-10-11(5-8)17-12(16-10)6-15-13(18)9(14)7-19-2;/h3-5,9H,6-7,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyLIYZTCOQDMZMLR-UHFFFAOYSA-N
XLogP0.88
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide
CID 125170749
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 92708257
2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
CID 30158519
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
CID 124703638
2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 86283902

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride (CID 120991479) is 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride is COCC(N)C(=O)NCc1nc2ccc(C)cc2[nH]1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride?
The InChIKey is LIYZTCOQDMZMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-8-3-4-10-11(5-8)17-12(16-10)6-15-13(18)9(14)7-19-2;/h3-5,9H,6-7,14H2,1-2H3,(H,15,18)(H,16,17);1H.
What are the key properties of 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120991479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).