6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one

C15H15N3O — CID 110491478

IUPAC6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one
SMILESNc1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1
InChIInChI=1S/C15H15N3O/c16-12-6-7-14-13(10-12)17-15(19)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,17,19)
InChIKeyGIJAJNAUGQQDPE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.15
Rot. Bonds3

About 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one

6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one (PubChem CID 110491478) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one
PubChem CID110491478
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one
SMILESNc1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1
InChIInChI=1S/C15H15N3O/c16-12-6-7-14-13(10-12)17-15(19)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,17,19)
InChIKeyGIJAJNAUGQQDPE-UHFFFAOYSA-N
XLogP2.15
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 134084698
1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70318245
N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 3232154
6-amino-3-methyl-1H-benzimidazol-2-one
CID 15508437
6-amino-3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-2-one
CID 110491439
3-[3-(4-aminophenoxy)propyl]-1H-benzimidazol-2-one
CID 61035080
6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 17333776
4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide
CID 70324748
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
benzyl 6-amino-2-oxo-3H-benzimidazole-1-carboxylate
CID 110724011
1-(2-methylsulfonylethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 54934884

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one (CID 110491478) is 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one is Nc1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1.
What is the InChIKey of 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one?
The InChIKey is GIJAJNAUGQQDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-12-6-7-14-13(10-12)17-15(19)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,17,19).
What are the key properties of 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one?
6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110491478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).