2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide

C22H25ClN4O — CID 46604604

IUPAC2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCC(C(=O)NCC(c1ccccc1Cl)N1CCCC1)n1cnc2ccccc21
InChIInChI=1S/C22H25ClN4O/c1-16(27-15-25-19-10-4-5-11-20(19)27)22(28)24-14-21(26-12-6-7-13-26)17-8-2-3-9-18(17)23/h2-5,8-11,15-16,21H,6-7,12-14H2,1H3,(H,24,28)
InChIKeyJOKVDLYOPAFOHV-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.20
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide

2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 46604604) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID46604604
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCC(C(=O)NCC(c1ccccc1Cl)N1CCCC1)n1cnc2ccccc21
InChIInChI=1S/C22H25ClN4O/c1-16(27-15-25-19-10-4-5-11-20(19)27)22(28)24-14-21(26-12-6-7-13-26)17-8-2-3-9-18(17)23/h2-5,8-11,15-16,21H,6-7,12-14H2,1H3,(H,24,28)
InChIKeyJOKVDLYOPAFOHV-UHFFFAOYSA-N
XLogP4.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(2R)-1-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 46604604) is 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide is CC(C(=O)NCC(c1ccccc1Cl)N1CCCC1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is JOKVDLYOPAFOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-16(27-15-25-19-10-4-5-11-20(19)27)22(28)24-14-21(26-12-6-7-13-26)17-8-2-3-9-18(17)23/h2-5,8-11,15-16,21H,6-7,12-14H2,1H3,(H,24,28).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 396.92 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 46604604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).