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

C29H38N4O2 — CID 140554073

IUPAC2-[(2R)-2-[[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
SMILESCc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(C[C@@H]2Cc3ccc(C(C)C(N)=O)cc3C2)CC1
InChIInChI=1S/C29H38N4O2/c1-18-5-8-26-25(13-18)31-28(29(3,4)35)33(26)24-9-11-32(12-10-24)17-20-14-22-7-6-21(16-23(22)15-20)19(2)27(30)34/h5-8,13,16,19-20,24,35H,9-12,14-15,17H2,1-4H3,(H2,30,34)/t19?,20-/m1/s1
InChIKeyXMNIUEOYJJUNSH-GFOWMXPYSA-N
MW474.65 g/mol
LogP4.21
Rot. Bonds6

About 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

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 (PubChem CID 140554073) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(2R)-2-[[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
PubChem CID140554073
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC Name2-[(2R)-2-[[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
SMILESCc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(C[C@@H]2Cc3ccc(C(C)C(N)=O)cc3C2)CC1
InChIInChI=1S/C29H38N4O2/c1-18-5-8-26-25(13-18)31-28(29(3,4)35)33(26)24-9-11-32(12-10-24)17-20-14-22-7-6-21(16-23(22)15-20)19(2)27(30)34/h5-8,13,16,19-20,24,35H,9-12,14-15,17H2,1-4H3,(H2,30,34)/t19?,20-/m1/s1
InChIKeyXMNIUEOYJJUNSH-GFOWMXPYSA-N
XLogP4.21
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
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
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
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-[(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
N-[2-[[(3R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
CID 147335449
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
1-[(3R,4R)-1-[(5-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-3-methoxypiperidin-4-yl]-5-methyl-2-propan-2-ylbenzimidazole
CID 68849525
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
N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
CID 68849648
N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
CID 58852265
[4-(2,5-dimethylbenzimidazol-1-yl)-1-[[(2S)-5-(2-methylpropanoylamino)-2,3-dihydro-1H-inden-2-yl]methyl]piperidin-3-yl] methanesulfonate
CID 140512456

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(C[C@@H]2Cc3ccc(C(C)C(N)=O)cc3C2)CC1.
What is the InChIKey of 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?
The InChIKey is XMNIUEOYJJUNSH-GFOWMXPYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-18-5-8-26-25(13-18)31-28(29(3,4)35)33(26)24-9-11-32(12-10-24)17-20-14-22-7-6-21(16-23(22)15-20)19(2)27(30)34/h5-8,13,16,19-20,24,35H,9-12,14-15,17H2,1-4H3,(H2,30,34)/t19?,20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 474.65 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140554073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).