N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride

C15H23ClN4O2 — CID 119571777

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)Cn1c(=O)[nH]c2ccccc21.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-3-15(4-2,10-16)18-13(20)9-19-12-8-6-5-7-11(12)17-14(19)21;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyBVPJACAIJBMTQP-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.39
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride (PubChem CID 119571777) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride
PubChem CID119571777
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)Cn1c(=O)[nH]c2ccccc21.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-3-15(4-2,10-16)18-13(20)9-19-12-8-6-5-7-11(12)17-14(19)21;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyBVPJACAIJBMTQP-UHFFFAOYSA-N
XLogP1.39
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119570994
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119453931
N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195260
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 119527137
N-tert-butyl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
CID 1085713
2-methyl-2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545536
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
N-(3-methylpiperidin-4-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 120553598

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride (CID 119571777) is N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride is CCC(CC)(CN)NC(=O)Cn1c(=O)[nH]c2ccccc21.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride?
The InChIKey is BVPJACAIJBMTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.ClH/c1-3-15(4-2,10-16)18-13(20)9-19-12-8-6-5-7-11(12)17-14(19)21;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,21)(H,18,20);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119571777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).