6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole

C17H16ClN3 — CID 51030311

IUPAC6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole
SMILESClc1ccc(C2CCCN2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H16ClN3/c18-13-5-3-12(4-6-13)17-2-1-9-21(17)14-7-8-15-16(10-14)20-11-19-15/h3-8,10-11,17H,1-2,9H2,(H,19,20)
InChIKeyOSEONVFLLDTSAC-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.56
Rot. Bonds2

About 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole

6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole (PubChem CID 51030311) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole
PubChem CID51030311
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole
SMILESClc1ccc(C2CCCN2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H16ClN3/c18-13-5-3-12(4-6-13)17-2-1-9-21(17)14-7-8-15-16(10-14)20-11-19-15/h3-8,10-11,17H,1-2,9H2,(H,19,20)
InChIKeyOSEONVFLLDTSAC-UHFFFAOYSA-N
XLogP4.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-[4-(1,3-dioxan-5-yloxy)phenyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 123583604
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274
6-[1-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 123606424
2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol
CID 90027524
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619
2-[2-[4-(4-chlorophenoxy)phenyl]pyrrolidin-1-yl]-3H-benzimidazol-5-amine
CID 118859030
3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
CID 58229114
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-5-sulfanyl-1H-imidazol-2-one
CID 91401540
6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 96670413
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 50939051
1-(3H-benzimidazol-5-yl)-4-benzylimino-5-(4-chlorophenyl)imidazolidin-2-one
CID 135923017

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole?
The IUPAC name of 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole (CID 51030311) is 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole is Clc1ccc(C2CCCN2c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole?
The InChIKey is OSEONVFLLDTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-13-5-3-12(4-6-13)17-2-1-9-21(17)14-7-8-15-16(10-14)20-11-19-15/h3-8,10-11,17H,1-2,9H2,(H,19,20).
What are the key properties of 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole?
6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole has a molecular weight of 297.79 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 51030311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).