5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

C16H23N3O — CID 106983270

IUPAC5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCOc1ccc2c(c1)nc(C1(C(C)C)CCNC1)n2C
InChIInChI=1S/C16H23N3O/c1-11(2)16(7-8-17-10-16)15-18-13-9-12(20-4)5-6-14(13)19(15)3/h5-6,9,11,17H,7-8,10H2,1-4H3
InChIKeyXRYMXSGKHZFFSN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.47
Rot. Bonds3

About 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (PubChem CID 106983270) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
PubChem CID106983270
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCOc1ccc2c(c1)nc(C1(C(C)C)CCNC1)n2C
InChIInChI=1S/C16H23N3O/c1-11(2)16(7-8-17-10-16)15-18-13-9-12(20-4)5-6-14(13)19(15)3/h5-6,9,11,17H,7-8,10H2,1-4H3
InChIKeyXRYMXSGKHZFFSN-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983205
6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983234
1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983190
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
1-propan-2-yl-2-(3-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-c]pyridine
CID 106983249
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole
CID 84617194
1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144192
2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole
CID 116682170
5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole
CID 63144452

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (CID 106983270) is 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole is COc1ccc2c(c1)nc(C1(C(C)C)CCNC1)n2C.
What is the InChIKey of 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The InChIKey is XRYMXSGKHZFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)16(7-8-17-10-16)15-18-13-9-12(20-4)5-6-14(13)19(15)3/h5-6,9,11,17H,7-8,10H2,1-4H3.
What are the key properties of 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole has a molecular weight of 273.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 106983270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).