N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride

C17H27ClN4O2 — CID 119642796

IUPACN-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-3-17(18,4-2)11-19-15(22)7-5-6-12-8-9-13-14(10-12)21-16(23)20-13;/h8-10H,3-7,11,18H2,1-2H3,(H,19,22)(H2,20,21,23);1H
InChIKeyBFWVTLMHLUZMBP-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.23
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride (PubChem CID 119642796) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride
PubChem CID119642796
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-3-17(18,4-2)11-19-15(22)7-5-6-12-8-9-13-14(10-12)21-16(23)20-13;/h8-10H,3-7,11,18H2,1-2H3,(H,19,22)(H2,20,21,23);1H
InChIKeyBFWVTLMHLUZMBP-UHFFFAOYSA-N
XLogP2.23
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]propanoic acid
CID 119350958
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119513434
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
N-(2-aminoethyl)-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]benzamide;hydrochloride
CID 120604115
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
5-[2-[(2-amino-2-methylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115136177
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
CID 166380294
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride (CID 119642796) is N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride?
The InChIKey is BFWVTLMHLUZMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-3-17(18,4-2)11-19-15(22)7-5-6-12-8-9-13-14(10-12)21-16(23)20-13;/h8-10H,3-7,11,18H2,1-2H3,(H,19,22)(H2,20,21,23);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.23, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119642796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).