N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride

C15H23ClN4O2 — CID 120828699

IUPACN-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCn1c(=O)n(C)c2ccccc21.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-11(16-2)10-17-14(20)8-9-19-13-7-5-4-6-12(13)18(3)15(19)21;/h4-7,11,16H,8-10H2,1-3H3,(H,17,20);1H
InChIKeyVIDMLXKZNUYPFU-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.88
Rot. Bonds6

About N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride

N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride (PubChem CID 120828699) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
PubChem CID120828699
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC NameN-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCn1c(=O)n(C)c2ccccc21.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-11(16-2)10-17-14(20)8-9-19-13-7-5-4-6-12(13)18(3)15(19)21;/h4-7,11,16H,8-10H2,1-3H3,(H,17,20);1H
InChIKeyVIDMLXKZNUYPFU-UHFFFAOYSA-N
XLogP0.88
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022
N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 119615322
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142638
N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
CID 120828386
N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592019
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451933
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 46449013

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride (CID 120828699) is N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride is CNC(C)CNC(=O)CCn1c(=O)n(C)c2ccccc21.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride?
The InChIKey is VIDMLXKZNUYPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.ClH/c1-11(16-2)10-17-14(20)8-9-19-13-7-5-4-6-12(13)18(3)15(19)21;/h4-7,11,16H,8-10H2,1-3H3,(H,17,20);1H.
What are the key properties of N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride?
N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 120828699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).