2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole

C23H29N3O — CID 26345971

IUPAC2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole
SMILESCCCN1CCC(n2c(Cc3ccc(OC)cc3)nc3ccccc32)CC1
InChIInChI=1S/C23H29N3O/c1-3-14-25-15-12-19(13-16-25)26-22-7-5-4-6-21(22)24-23(26)17-18-8-10-20(27-2)11-9-18/h4-11,19H,3,12-17H2,1-2H3
InChIKeyGVONSZZCBFWIRH-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.68
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole

2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole (PubChem CID 26345971) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole
PubChem CID26345971
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole
SMILESCCCN1CCC(n2c(Cc3ccc(OC)cc3)nc3ccccc32)CC1
InChIInChI=1S/C23H29N3O/c1-3-14-25-15-12-19(13-16-25)26-22-7-5-4-6-21(22)24-23(26)17-18-8-10-20(27-2)11-9-18/h4-11,19H,3,12-17H2,1-2H3
InChIKeyGVONSZZCBFWIRH-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
CID 140529272
4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide
CID 42431242
1-(1-propylpiperidin-4-yl)-2-pyridin-2-ylbenzimidazole
CID 56852643
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133445479
2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 3344843
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
N-[3-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propyl]-4-fluoroaniline
CID 58599524
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968462
1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 26340007

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole (CID 26345971) is 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole is CCCN1CCC(n2c(Cc3ccc(OC)cc3)nc3ccccc32)CC1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole?
The InChIKey is GVONSZZCBFWIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-14-25-15-12-19(13-16-25)26-22-7-5-4-6-21(22)24-23(26)17-18-8-10-20(27-2)11-9-18/h4-11,19H,3,12-17H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole?
2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole has a molecular weight of 363.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole is sourced from PubChem (CID 26345971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).