1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone

C15H17N3O — CID 104529198

IUPAC1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2cnc3c2CCCC3)cc1N
InChIInChI=1S/C15H17N3O/c1-10(19)12-7-6-11(8-13(12)16)18-9-17-14-4-2-3-5-15(14)18/h6-9H,2-5,16H2,1H3
InChIKeyRNFSJCKQQGBVJQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.54
Rot. Bonds2

About 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone

1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone (PubChem CID 104529198) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone
PubChem CID104529198
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2cnc3c2CCCC3)cc1N
InChIInChI=1S/C15H17N3O/c1-10(19)12-7-6-11(8-13(12)16)18-9-17-14-4-2-3-5-15(14)18/h6-9H,2-5,16H2,1H3
InChIKeyRNFSJCKQQGBVJQ-UHFFFAOYSA-N
XLogP2.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone (CID 104529198) is 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone is CC(=O)c1ccc(-n2cnc3c2CCCC3)cc1N.
What is the InChIKey of 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone?
The InChIKey is RNFSJCKQQGBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(19)12-7-6-11(8-13(12)16)18-9-17-14-4-2-3-5-15(14)18/h6-9H,2-5,16H2,1H3.
What are the key properties of 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone?
1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 104529198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).