1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol

C27H34FN3O — CID 68847591

IUPAC1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol
SMILESCc1ccc2c(c1)nc(CC(C)(C)O)n2C1CCN(CC2Cc3ccc(F)cc3C2)CC1
InChIInChI=1S/C27H34FN3O/c1-18-4-7-25-24(12-18)29-26(16-27(2,3)32)31(25)23-8-10-30(11-9-23)17-19-13-20-5-6-22(28)15-21(20)14-19/h4-7,12,15,19,23,32H,8-11,13-14,16-17H2,1-3H3
InChIKeyXULQHXCMNBOOSH-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.85
Rot. Bonds5

About 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol

1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol (PubChem CID 68847591) has the molecular formula C27H34FN3O and a molecular weight of 435.59 g/mol. Its IUPAC name is 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol
PubChem CID68847591
Molecular FormulaC27H34FN3O
Molecular Weight435.59 g/mol
Exact Mass435.27
IUPAC Name1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol
SMILESCc1ccc2c(c1)nc(CC(C)(C)O)n2C1CCN(CC2Cc3ccc(F)cc3C2)CC1
InChIInChI=1S/C27H34FN3O/c1-18-4-7-25-24(12-18)29-26(16-27(2,3)32)31(25)23-8-10-30(11-9-23)17-19-13-20-5-6-22(28)15-21(20)14-19/h4-7,12,15,19,23,32H,8-11,13-14,16-17H2,1-3H3
InChIKeyXULQHXCMNBOOSH-UHFFFAOYSA-N
XLogP4.85
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3S,4R)-1-[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-3-methoxypiperidin-4-yl]-5-methylbenzimidazol-2-yl]propan-2-ol
CID 68848207
2-[(2R)-2-[[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
CID 140554073
N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
CID 91123086
2-[1-[(3R,4R)-1-[[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]methyl]-3-methoxypiperidin-4-yl]-5-methylbenzimidazol-2-yl]propan-2-ol
CID 68848039
(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone
CID 68513196
2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole
CID 59360903
2-(chloromethyl)-5-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 54949887
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
N-[(2R)-2-[[4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
CID 68884131
tert-butyl N-[2-[[4-(2,5-dimethylbenzimidazol-1-yl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]carbamate
CID 68509056
N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
CID 71018106
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol (CID 68847591) is 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol is Cc1ccc2c(c1)nc(CC(C)(C)O)n2C1CCN(CC2Cc3ccc(F)cc3C2)CC1.
What is the InChIKey of 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol?
The InChIKey is XULQHXCMNBOOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O/c1-18-4-7-25-24(12-18)29-26(16-27(2,3)32)31(25)23-8-10-30(11-9-23)17-19-13-20-5-6-22(28)15-21(20)14-19/h4-7,12,15,19,23,32H,8-11,13-14,16-17H2,1-3H3.
What are the key properties of 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol?
1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol has a molecular weight of 435.59 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 68847591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).