N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride

C17H27ClN4O2 — CID 119654789

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride
SMILESCCn1c(=O)n(CC(=O)N(C)CC(C)(C)CN)c2ccccc21.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-5-20-13-8-6-7-9-14(13)21(16(20)23)10-15(22)19(4)12-17(2,3)11-18;/h6-9H,5,10-12,18H2,1-4H3;1H
InChIKeyRPWCQWDVITZBRX-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.69
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride (PubChem CID 119654789) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride
PubChem CID119654789
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride
SMILESCCn1c(=O)n(CC(=O)N(C)CC(C)(C)CN)c2ccccc21.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-5-20-13-8-6-7-9-14(13)21(16(20)23)10-15(22)19(4)12-17(2,3)11-18;/h6-9H,5,10-12,18H2,1-4H3;1H
InChIKeyRPWCQWDVITZBRX-UHFFFAOYSA-N
XLogP1.69
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride (CID 119654789) is N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride is CCn1c(=O)n(CC(=O)N(C)CC(C)(C)CN)c2ccccc21.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride?
The InChIKey is RPWCQWDVITZBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-5-20-13-8-6-7-9-14(13)21(16(20)23)10-15(22)19(4)12-17(2,3)11-18;/h6-9H,5,10-12,18H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119654789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).