(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone

C25H18N2O2 — CID 155598914

IUPAC(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccccc1
InChIInChI=1S/C25H18N2O2/c1-29-19-14-15-23-22(16-19)26-24(27(23)25(28)18-9-3-2-4-10-18)21-13-7-11-17-8-5-6-12-20(17)21/h2-16H,1H3
InChIKeyGACQXPRKNCCSQW-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.55
Rot. Bonds3

About (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone

(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone (PubChem CID 155598914) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone
PubChem CID155598914
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccccc1
InChIInChI=1S/C25H18N2O2/c1-29-19-14-15-23-22(16-19)26-24(27(23)25(28)18-9-3-2-4-10-18)21-13-7-11-17-8-5-6-12-20(17)21/h2-16H,1H3
InChIKeyGACQXPRKNCCSQW-UHFFFAOYSA-N
XLogP5.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone?
The IUPAC name of (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone (CID 155598914) is (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone?
The canonical SMILES for (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone is COc1ccc2c(c1)nc(-c1cccc3ccccc13)n2C(=O)c1ccccc1.
What is the InChIKey of (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone?
The InChIKey is GACQXPRKNCCSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-29-19-14-15-23-22(16-19)26-24(27(23)25(28)18-9-3-2-4-10-18)21-13-7-11-17-8-5-6-12-20(17)21/h2-16H,1H3.
What are the key properties of (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone?
(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone has a molecular weight of 378.43 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone is sourced from PubChem (CID 155598914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).