4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide

C21H24N4O — CID 119530528

IUPAC4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CCNC1
InChIInChI=1S/C21H24N4O/c1-2-13-24(18-11-12-22-14-18)21(26)16-7-9-17(10-8-16)25-15-23-19-5-3-4-6-20(19)25/h3-10,15,18,22H,2,11-14H2,1H3
InChIKeyRECDVGKFWSAYJQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.24
Rot. Bonds5

About 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide

4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119530528) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119530528
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CCNC1
InChIInChI=1S/C21H24N4O/c1-2-13-24(18-11-12-22-14-18)21(26)16-7-9-17(10-8-16)25-15-23-19-5-3-4-6-20(19)25/h3-10,15,18,22H,2,11-14H2,1H3
InChIKeyRECDVGKFWSAYJQ-UHFFFAOYSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119531604
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119530538

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 119530528) is 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CCNC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is RECDVGKFWSAYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-13-24(18-11-12-22-14-18)21(26)16-7-9-17(10-8-16)25-15-23-19-5-3-4-6-20(19)25/h3-10,15,18,22H,2,11-14H2,1H3.
What are the key properties of 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide?
4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119530528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).