2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone

C18H19N3O2 — CID 2850068

IUPAC2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1c(NCCCO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19N3O2/c22-12-6-11-19-18-20-15-9-4-5-10-16(15)21(18)13-17(23)14-7-2-1-3-8-14/h1-5,7-10,22H,6,11-13H2,(H,19,20)
InChIKeyVUAWXOVDKSJYGY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds7

About 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone

2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone (PubChem CID 2850068) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
PubChem CID2850068
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1c(NCCCO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19N3O2/c22-12-6-11-19-18-20-15-9-4-5-10-16(15)21(18)13-17(23)14-7-2-1-3-8-14/h1-5,7-10,22H,6,11-13H2,(H,19,20)
InChIKeyVUAWXOVDKSJYGY-UHFFFAOYSA-N
XLogP2.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
2-[2-(3-chloropropylamino)benzimidazol-1-yl]-1-phenylethanone chloride
CID 53312832
methyl 2-[4-[2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]acetyl]phenoxy]acetate bromide
CID 53351445
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
CID 146052223
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
2-[2-(3-hydroxypropylamino)-5,6-dimethylbenzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 53338454
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone (CID 2850068) is 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone is O=C(Cn1c(NCCCO)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone?
The InChIKey is VUAWXOVDKSJYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-12-6-11-19-18-20-15-9-4-5-10-16(15)21(18)13-17(23)14-7-2-1-3-8-14/h1-5,7-10,22H,6,11-13H2,(H,19,20).
What are the key properties of 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone?
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone has a molecular weight of 309.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone is sourced from PubChem (CID 2850068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).