1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole

C18H19N3O — CID 44551198

IUPAC1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
SMILESCOc1ccc(-n2c(N3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C18H19N3O/c1-22-15-10-8-14(9-11-15)21-17-7-3-2-6-16(17)19-18(21)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyDMOAXXYYNFYNDM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.63
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole

1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole (PubChem CID 44551198) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
PubChem CID44551198
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
SMILESCOc1ccc(-n2c(N3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C18H19N3O/c1-22-15-10-8-14(9-11-15)21-17-7-3-2-6-16(17)19-18(21)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyDMOAXXYYNFYNDM-UHFFFAOYSA-N
XLogP3.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551201
1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119908334
1-(4-methoxyphenyl)piperidine
CID 10130315
1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
CID 10105231
6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole
CID 50901634
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
1-(2-ethylpiperidin-1-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanone
CID 4303296
1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
CID 57424026
2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
CID 86118323
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 4881241

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole (CID 44551198) is 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole is COc1ccc(-n2c(N3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole?
The InChIKey is DMOAXXYYNFYNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-15-10-8-14(9-11-15)21-17-7-3-2-6-16(17)19-18(21)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole?
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole has a molecular weight of 293.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole is sourced from PubChem (CID 44551198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).