N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride

C18H27ClN4O2 — CID 119610899

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride
SMILESCCn1c(=O)n(CC(=O)NC2CCCCC2CN)c2ccccc21.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-2-21-15-9-5-6-10-16(15)22(18(21)24)12-17(23)20-14-8-4-3-7-13(14)11-19;/h5-6,9-10,13-14H,2-4,7-8,11-12,19H2,1H3,(H,20,23);1H
InChIKeyMWSFOLCVJJRHDF-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride (PubChem CID 119610899) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride
PubChem CID119610899
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride
SMILESCCn1c(=O)n(CC(=O)NC2CCCCC2CN)c2ccccc21.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-2-21-15-9-5-6-10-16(15)22(18(21)24)12-17(23)20-14-8-4-3-7-13(14)11-19;/h5-6,9-10,13-14H,2-4,7-8,11-12,19H2,1H3,(H,20,23);1H
InChIKeyMWSFOLCVJJRHDF-UHFFFAOYSA-N
XLogP1.88
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119610481
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
2-[4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 134047876
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 24587471
N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119609714
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18169394
N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18156454
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride (CID 119610899) is N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride is CCn1c(=O)n(CC(=O)NC2CCCCC2CN)c2ccccc21.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride?
The InChIKey is MWSFOLCVJJRHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-2-21-15-9-5-6-10-16(15)22(18(21)24)12-17(23)20-14-8-4-3-7-13(14)11-19;/h5-6,9-10,13-14H,2-4,7-8,11-12,19H2,1H3,(H,20,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119610899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).