N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide

C27H31ClN4O — CID 91123086

IUPACN-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
SMILESCc1ccc2c(c1)nc(Cl)n2C1CCN(C[C@@H]2Cc3ccc(NC(=O)C4CC4)cc3C2)CC1
InChIInChI=1S/C27H31ClN4O/c1-17-2-7-25-24(12-17)30-27(28)32(25)23-8-10-31(11-9-23)16-18-13-20-5-6-22(15-21(20)14-18)29-26(33)19-3-4-19/h2,5-7,12,15,18-19,23H,3-4,8-11,13-14,16H2,1H3,(H,29,33)/t18-/m1/s1
InChIKeyWJDHXRUQXVTQCB-GOSISDBHSA-N
MW463.03 g/mol
LogP5.40
Rot. Bonds5

About N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide

N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide (PubChem CID 91123086) has the molecular formula C27H31ClN4O and a molecular weight of 463.03 g/mol. Its IUPAC name is N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
PubChem CID91123086
Molecular FormulaC27H31ClN4O
Molecular Weight463.03 g/mol
Exact Mass462.22
IUPAC NameN-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
SMILESCc1ccc2c(c1)nc(Cl)n2C1CCN(C[C@@H]2Cc3ccc(NC(=O)C4CC4)cc3C2)CC1
InChIInChI=1S/C27H31ClN4O/c1-17-2-7-25-24(12-17)30-27(28)32(25)23-8-10-31(11-9-23)16-18-13-20-5-6-22(15-21(20)14-18)29-26(33)19-3-4-19/h2,5-7,12,15,18-19,23H,3-4,8-11,13-14,16H2,1H3,(H,29,33)/t18-/m1/s1
InChIKeyWJDHXRUQXVTQCB-GOSISDBHSA-N
XLogP5.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.03
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(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)-4-(2,5-dimethylbenzimidazol-1-yl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
CID 147335449
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
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
(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-[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
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-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-3-(2,5-dimethylbenzimidazol-1-yl)cyclopentan-1-amine
CID 66876579
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
(3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide
CID 92614391

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide (CID 91123086) is N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide is Cc1ccc2c(c1)nc(Cl)n2C1CCN(C[C@@H]2Cc3ccc(NC(=O)C4CC4)cc3C2)CC1.
What is the InChIKey of N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide?
The InChIKey is WJDHXRUQXVTQCB-GOSISDBHSA-N. The full InChI is InChI=1S/C27H31ClN4O/c1-17-2-7-25-24(12-17)30-27(28)32(25)23-8-10-31(11-9-23)16-18-13-20-5-6-22(15-21(20)14-18)29-26(33)19-3-4-19/h2,5-7,12,15,18-19,23H,3-4,8-11,13-14,16H2,1H3,(H,29,33)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide?
N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide has a molecular weight of 463.03 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[4-(2-chloro-5-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91123086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).