2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole

C23H29N3O — CID 175756654

IUPAC2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
SMILESCOc1nc2ccc(C3CCN(C)CC3)cc2n1CCCc1ccccc1
InChIInChI=1S/C23H29N3O/c1-25-15-12-19(13-16-25)20-10-11-21-22(17-20)26(23(24-21)27-2)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3
InChIKeyLAKWHCLBIUBUCN-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.49
Rot. Bonds6

About 2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole

2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole (PubChem CID 175756654) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole.

Molecular Properties

Compound Name2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
PubChem CID175756654
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
SMILESCOc1nc2ccc(C3CCN(C)CC3)cc2n1CCCc1ccccc1
InChIInChI=1S/C23H29N3O/c1-25-15-12-19(13-16-25)20-10-11-21-22(17-20)26(23(24-21)27-2)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3
InChIKeyLAKWHCLBIUBUCN-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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Related Compounds

2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
CID 175756639
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
2-cyclopentyl-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084004
2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
CID 175826583
1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932
6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 155546788
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
1-[2,2-dimethyl-7-(1-methylpiperidin-4-yl)-3,4-dihydroquinolin-1-yl]-4-phenylbutan-1-one
CID 167675565
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole?
The IUPAC name of 2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole (CID 175756654) is 2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole.
What is the SMILES notation for 2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole?
The canonical SMILES for 2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole is COc1nc2ccc(C3CCN(C)CC3)cc2n1CCCc1ccccc1.
What is the InChIKey of 2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole?
The InChIKey is LAKWHCLBIUBUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-25-15-12-19(13-16-25)20-10-11-21-22(17-20)26(23(24-21)27-2)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-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole?
2-methoxy-6-(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-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole is sourced from PubChem (CID 175756654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).