N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride

C16H23ClN4O2 — CID 119615322

IUPACN-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
SMILESCl.Cn1c(=O)n(CCC(=O)NC(CN)C2CC2)c2ccccc21
InChIInChI=1S/C16H22N4O2.ClH/c1-19-13-4-2-3-5-14(13)20(16(19)22)9-8-15(21)18-12(10-17)11-6-7-11;/h2-5,11-12H,6-10,17H2,1H3,(H,18,21);1H
InChIKeyDTDURAYZUGGCCY-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.01
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride (PubChem CID 119615322) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
PubChem CID119615322
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
SMILESCl.Cn1c(=O)n(CCC(=O)NC(CN)C2CC2)c2ccccc21
InChIInChI=1S/C16H22N4O2.ClH/c1-19-13-4-2-3-5-14(13)20(16(19)22)9-8-15(21)18-12(10-17)11-6-7-11;/h2-5,11-12H,6-10,17H2,1H3,(H,18,21);1H
InChIKeyDTDURAYZUGGCCY-UHFFFAOYSA-N
XLogP1.01
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride (CID 119615322) is N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride is Cl.Cn1c(=O)n(CCC(=O)NC(CN)C2CC2)c2ccccc21.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride?
The InChIKey is DTDURAYZUGGCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-19-13-4-2-3-5-14(13)20(16(19)22)9-8-15(21)18-12(10-17)11-6-7-11;/h2-5,11-12H,6-10,17H2,1H3,(H,18,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119615322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).