N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide

C28H34N4O2 — CID 71018106

IUPACN-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
SMILESCc1ccc2c(c1)nc(C)n2[C@@H]1CCN(C[C@H]2Cc3ccc(NC(=O)C4CC4)cc3C2)C[C@H]1O
InChIInChI=1S/C28H34N4O2/c1-17-3-8-25-24(11-17)29-18(2)32(25)26-9-10-31(16-27(26)33)15-19-12-21-6-7-23(14-22(21)13-19)30-28(34)20-4-5-20/h3,6-8,11,14,19-20,26-27,33H,4-5,9-10,12-13,15-16H2,1-2H3,(H,30,34)/t19-,26+,27+/m0/s1
InChIKeyFXVQSVUFDQWODS-GTKZSKITSA-N
MW458.61 g/mol
LogP4.02
Rot. Bonds5

About N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide

N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide (PubChem CID 71018106) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
PubChem CID71018106
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
SMILESCc1ccc2c(c1)nc(C)n2[C@@H]1CCN(C[C@H]2Cc3ccc(NC(=O)C4CC4)cc3C2)C[C@H]1O
InChIInChI=1S/C28H34N4O2/c1-17-3-8-25-24(11-17)29-18(2)32(25)26-9-10-31(16-27(26)33)15-19-12-21-6-7-23(14-22(21)13-19)30-28(34)20-4-5-20/h3,6-8,11,14,19-20,26-27,33H,4-5,9-10,12-13,15-16H2,1-2H3,(H,30,34)/t19-,26+,27+/m0/s1
InChIKeyFXVQSVUFDQWODS-GTKZSKITSA-N
XLogP4.02
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
CID 91123086
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
[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
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
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
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-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
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
(3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide
CID 92614391
tert-butyl (3S,4S)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-hydroxypiperidine-1-carboxylate
CID 58852266
(2S)-2-[[(3R,4R)-3-methoxy-4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
CID 68507132

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide?
The IUPAC name of 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) is N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide is Cc1ccc2c(c1)nc(C)n2[C@@H]1CCN(C[C@H]2Cc3ccc(NC(=O)C4CC4)cc3C2)C[C@H]1O.
What is the InChIKey of N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide?
The InChIKey is FXVQSVUFDQWODS-GTKZSKITSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-17-3-8-25-24(11-17)29-18(2)32(25)26-9-10-31(16-27(26)33)15-19-12-21-6-7-23(14-22(21)13-19)30-28(34)20-4-5-20/h3,6-8,11,14,19-20,26-27,33H,4-5,9-10,12-13,15-16H2,1-2H3,(H,30,34)/t19-,26+,27+/m0/s1.
What are the key properties of N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide?
N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71018106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).