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

C25H29Cl2N5O — CID 130444885

IUPACN-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(N(C)C(=O)C4CCCN4)C3)cc21
InChIInChI=1S/C25H29Cl2N5O/c1-16(20-7-5-17(26)12-21(20)27)32-15-29-22-8-6-18(13-24(22)32)31-11-9-19(14-31)30(2)25(33)23-4-3-10-28-23/h5-8,12-13,15-16,19,23,28H,3-4,9-11,14H2,1-2H3
InChIKeyLSYLXXMPPKEPCF-UHFFFAOYSA-N
MW486.45 g/mol
LogP4.74
Rot. Bonds5

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

N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 130444885) has the molecular formula C25H29Cl2N5O and a molecular weight of 486.45 g/mol. Its IUPAC name is N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID130444885
Molecular FormulaC25H29Cl2N5O
Molecular Weight486.45 g/mol
Exact Mass485.17
IUPAC NameN-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(N(C)C(=O)C4CCCN4)C3)cc21
InChIInChI=1S/C25H29Cl2N5O/c1-16(20-7-5-17(26)12-21(20)27)32-15-29-22-8-6-18(13-24(22)32)31-11-9-19(14-31)30(2)25(33)23-4-3-10-28-23/h5-8,12-13,15-16,19,23,28H,3-4,9-11,14H2,1-2H3
InChIKeyLSYLXXMPPKEPCF-UHFFFAOYSA-N
XLogP4.74
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide (CID 130444885) is N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide is CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(N(C)C(=O)C4CCCN4)C3)cc21.
What is the InChIKey of N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LSYLXXMPPKEPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N5O/c1-16(20-7-5-17(26)12-21(20)27)32-15-29-22-8-6-18(13-24(22)32)31-11-9-19(14-31)30(2)25(33)23-4-3-10-28-23/h5-8,12-13,15-16,19,23,28H,3-4,9-11,14H2,1-2H3.
What are the key properties of N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide?
N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 486.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 130444885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).