2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole

C23H29N3O — CID 175756639

IUPAC2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
SMILESCOc1nc2cc(C3CCN(C)CC3)ccc2n1CCCc1ccccc1
InChIInChI=1S/C23H29N3O/c1-25-15-12-19(13-16-25)20-10-11-22-21(17-20)24-23(27-2)26(22)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3
InChIKeyQSOPKQWVEJESDO-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.49
Rot. Bonds6

About 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole

2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole (PubChem CID 175756639) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole.

Molecular Properties

Compound Name2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
PubChem CID175756639
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
SMILESCOc1nc2cc(C3CCN(C)CC3)ccc2n1CCCc1ccccc1
InChIInChI=1S/C23H29N3O/c1-25-15-12-19(13-16-25)20-10-11-22-21(17-20)24-23(27-2)26(22)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3
InChIKeyQSOPKQWVEJESDO-UHFFFAOYSA-N
XLogP4.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole?
The IUPAC name of 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole (CID 175756639) is 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole.
What is the SMILES notation for 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole?
The canonical SMILES for 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole is COc1nc2cc(C3CCN(C)CC3)ccc2n1CCCc1ccccc1.
What is the InChIKey of 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole?
The InChIKey is QSOPKQWVEJESDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-25-15-12-19(13-16-25)20-10-11-22-21(17-20)24-23(27-2)26(22)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3.
What are the key properties of 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole?
2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole has a molecular weight of 363.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole is sourced from PubChem (CID 175756639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).