N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride

C23H29ClN4O2 — CID 120884273

IUPACN-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C23H28N4O2.ClH/c24-13-15-26(14-12-17-6-2-1-3-7-17)22(28)18-10-11-21-20(16-18)25-23(29)27(21)19-8-4-5-9-19;/h1-3,6-7,10-11,16,19H,4-5,8-9,12-15,24H2,(H,25,29);1H
InChIKeyJEJOMZTWDUUICP-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.51
Rot. Bonds7

About N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride

N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride (PubChem CID 120884273) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
PubChem CID120884273
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C23H28N4O2.ClH/c24-13-15-26(14-12-17-6-2-1-3-7-17)22(28)18-10-11-21-20(16-18)25-23(29)27(21)19-8-4-5-9-19;/h1-3,6-7,10-11,16,19H,4-5,8-9,12-15,24H2,(H,25,29);1H
InChIKeyJEJOMZTWDUUICP-UHFFFAOYSA-N
XLogP3.51
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride with MolForge

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Related Compounds

1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640
N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 111122028
N-(3-amino-4-methylpentyl)-1-cyclopentyl-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 119660783
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119366962
1-cyclopentyl-2-oxo-N-propyl-N-pyrrolidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119532706
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 120886194
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 22558089

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride (CID 120884273) is N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride?
The InChIKey is JEJOMZTWDUUICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.ClH/c24-13-15-26(14-12-17-6-2-1-3-7-17)22(28)18-10-11-21-20(16-18)25-23(29)27(21)19-8-4-5-9-19;/h1-3,6-7,10-11,16,19H,4-5,8-9,12-15,24H2,(H,25,29);1H.
What are the key properties of N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride has a molecular weight of 428.96 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120884273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).