2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide

C21H23ClN4O2 — CID 1252141

IUPAC2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide
SMILESCn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H23ClN4O2/c1-25-19-9-6-16(12-18(19)24-20(25)13-26-10-2-3-11-26)23-21(27)14-28-17-7-4-15(22)5-8-17/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,23,27)
InChIKeyPFVDHCWWFPTQMQ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.84
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide

2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide (PubChem CID 1252141) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide
PubChem CID1252141
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide
SMILESCn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H23ClN4O2/c1-25-19-9-6-16(12-18(19)24-20(25)13-26-10-2-3-11-26)23-21(27)14-28-17-7-4-15(22)5-8-17/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,23,27)
InChIKeyPFVDHCWWFPTQMQ-UHFFFAOYSA-N
XLogP3.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide (CID 1252141) is 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide is Cn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide?
The InChIKey is PFVDHCWWFPTQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-25-19-9-6-16(12-18(19)24-20(25)13-26-10-2-3-11-26)23-21(27)14-28-17-7-4-15(22)5-8-17/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide has a molecular weight of 398.89 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 1252141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).