5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide

C22H21ClN4O2 — CID 146251281

IUPAC5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C22H21ClN4O2/c23-16-7-8-19-15(13-16)14-20(29-19)21(28)25-22-24-17-5-1-2-6-18(17)27(22)12-11-26-9-3-4-10-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,25,28)
InChIKeyIOJAPRVYOPUKQU-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.78
Rot. Bonds5

About 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide

5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 146251281) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID146251281
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C22H21ClN4O2/c23-16-7-8-19-15(13-16)14-20(29-19)21(28)25-22-24-17-5-1-2-6-18(17)27(22)12-11-26-9-3-4-10-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,25,28)
InChIKeyIOJAPRVYOPUKQU-UHFFFAOYSA-N
XLogP4.78
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-1-benzofuran-2-carboxamide
CID 2583514
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)-2-furamide
CID 1112705
N-[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]-2-furancarboxamide
CID 645654
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide
CID 1034468
N-{1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}-2-furamide
CID 1292700
N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 1294201
N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide
CID 1492379
N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2117785
N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 2547579
N-{3-[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]propyl}furan-2-carboxamide
CID 3164560
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-6-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole;hydrochloride
CID 44530677
5-chloro-N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 155567218

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide (CID 146251281) is 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is IOJAPRVYOPUKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-16-7-8-19-15(13-16)14-20(29-19)21(28)25-22-24-17-5-1-2-6-18(17)27(22)12-11-26-9-3-4-10-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,25,28).
What are the key properties of 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide?
5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 146251281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).