1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole

C23H29N3O — CID 24815438

IUPAC1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
SMILESCC(C)Oc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C23H29N3O/c1-17(2)27-22-11-7-4-8-19(22)18-12-14-26(15-13-18)16-23-24-20-9-5-6-10-21(20)25(23)3/h4-11,17-18H,12-16H2,1-3H3
InChIKeyHFRXLNHAYPZENL-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.74
Rot. Bonds5

About 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole

1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole (PubChem CID 24815438) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
PubChem CID24815438
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
SMILESCC(C)Oc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C23H29N3O/c1-17(2)27-22-11-7-4-8-19(22)18-12-14-26(15-13-18)16-23-24-20-9-5-6-10-21(20)25(23)3/h4-11,17-18H,12-16H2,1-3H3
InChIKeyHFRXLNHAYPZENL-UHFFFAOYSA-N
XLogP4.74
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
CID 69163958
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole
CID 46225583
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 95845112
(2R)-2-(2-methoxyphenyl)-4-[(1-methylbenzimidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 29212232
1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one
CID 54257224
4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166632835
(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine
CID 24815515
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
CID 24849559

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole (CID 24815438) is 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole is CC(C)Oc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1.
What is the InChIKey of 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole?
The InChIKey is HFRXLNHAYPZENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17(2)27-22-11-7-4-8-19(22)18-12-14-26(15-13-18)16-23-24-20-9-5-6-10-21(20)25(23)3/h4-11,17-18H,12-16H2,1-3H3.
What are the key properties of 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole has a molecular weight of 363.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 24815438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).