(2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide

C24H27Cl2N5O — CID 130444870

IUPAC(2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(NC(=O)[C@H]4CCCN4)C3)cc21
InChIInChI=1S/C24H27Cl2N5O/c1-15(19-6-4-16(25)11-20(19)26)31-14-28-21-7-5-18(12-23(21)31)30-10-8-17(13-30)29-24(32)22-3-2-9-27-22/h4-7,11-12,14-15,17,22,27H,2-3,8-10,13H2,1H3,(H,29,32)/t15?,17?,22-/m1/s1
InChIKeyOYNBLBSKZQSTKG-SGHZUCRHSA-N
MW472.42 g/mol
LogP4.40
Rot. Bonds5

About (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide

(2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 130444870) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID130444870
Molecular FormulaC24H27Cl2N5O
Molecular Weight472.42 g/mol
Exact Mass471.16
IUPAC Name(2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(NC(=O)[C@H]4CCCN4)C3)cc21
InChIInChI=1S/C24H27Cl2N5O/c1-15(19-6-4-16(25)11-20(19)26)31-14-28-21-7-5-18(12-23(21)31)30-10-8-17(13-30)29-24(32)22-3-2-9-27-22/h4-7,11-12,14-15,17,22,27H,2-3,8-10,13H2,1H3,(H,29,32)/t15?,17?,22-/m1/s1
InChIKeyOYNBLBSKZQSTKG-SGHZUCRHSA-N
XLogP4.40
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide
CID 130444885
[(2R)-2-amino-4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 130444756
[(2R)-4-[3-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 134490884
[(2S)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 123302205
[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-(2-methylpyrrolidin-2-yl)methanone
CID 123510359
(3-aminopiperidin-1-yl)-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperidin-4-yl]methanone
CID 78120696
1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile
CID 159003847
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 130444861
1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole
CID 134490854
[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-fluorobenzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
CID 78121024
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-fluorobenzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 71582608
N-[(3R,4S)-1-[4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-5-fluoropyrimidin-2-yl]-3-hydroxypiperidin-4-yl]pyrrolidine-2-carboxamide
CID 170310195

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 130444870) is (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide is CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(NC(=O)[C@H]4CCCN4)C3)cc21.
What is the InChIKey of (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is OYNBLBSKZQSTKG-SGHZUCRHSA-N. The full InChI is InChI=1S/C24H27Cl2N5O/c1-15(19-6-4-16(25)11-20(19)26)31-14-28-21-7-5-18(12-23(21)31)30-10-8-17(13-30)29-24(32)22-3-2-9-27-22/h4-7,11-12,14-15,17,22,27H,2-3,8-10,13H2,1H3,(H,29,32)/t15?,17?,22-/m1/s1.
What are the key properties of (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 130444870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).