(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone

C18H18N2O2 — CID 711823

IUPAC(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
SMILESCCCn1c(C(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyJKPNGIGYADEAGR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.69
Rot. Bonds5

About (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone

(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone (PubChem CID 711823) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
PubChem CID711823
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
SMILESCCCn1c(C(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyJKPNGIGYADEAGR-UHFFFAOYSA-N
XLogP3.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone (CID 711823) is (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone is CCCn1c(C(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone?
The InChIKey is JKPNGIGYADEAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone?
(4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 711823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).