(2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone

C15H13N3O — CID 1088432

IUPAC(2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14(19)18-13-5-3-2-4-12(13)17-15(18)16/h2-9H,1H3,(H2,16,17)
InChIKeyYCHRTVVATAVLJX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.62
Rot. Bonds1

About (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone

(2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone (PubChem CID 1088432) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone
PubChem CID1088432
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14(19)18-13-5-3-2-4-12(13)17-15(18)16/h2-9H,1H3,(H2,16,17)
InChIKeyYCHRTVVATAVLJX-UHFFFAOYSA-N
XLogP2.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone (CID 1088432) is (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)n2c(N)nc3ccccc32)cc1.
What is the InChIKey of (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone?
The InChIKey is YCHRTVVATAVLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14(19)18-13-5-3-2-4-12(13)17-15(18)16/h2-9H,1H3,(H2,16,17).
What are the key properties of (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone?
(2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone has a molecular weight of 251.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminobenzimidazol-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 1088432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).