6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole

C13H16ClN3O — CID 115472331

IUPAC6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole
SMILESCOC1CNC(c2nc3ccc(Cl)cc3n2C)C1
InChIInChI=1S/C13H16ClN3O/c1-17-12-5-8(14)3-4-10(12)16-13(17)11-6-9(18-2)7-15-11/h3-5,9,11,15H,6-7H2,1-2H3
InChIKeyLDYOWHNCGMLAEG-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.28
Rot. Bonds2

About 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole

6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole (PubChem CID 115472331) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole
PubChem CID115472331
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole
SMILESCOC1CNC(c2nc3ccc(Cl)cc3n2C)C1
InChIInChI=1S/C13H16ClN3O/c1-17-12-5-8(14)3-4-10(12)16-13(17)11-6-9(18-2)7-15-11/h3-5,9,11,15H,6-7H2,1-2H3
InChIKeyLDYOWHNCGMLAEG-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole
CID 60785896
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
3-(4-methoxypyrrolidin-2-yl)-4,5-dimethyl-1,2,4-triazole
CID 61351797
6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole
CID 115472337
3-[(2S,4S)-4-methoxypyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 94552501
4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
CID 115472457
6-chloro-2-[[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 167984235
4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine
CID 115472367
3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
CID 84629728
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
6-chloro-1-methyl-2-(trichloromethyl)benzimidazole
CID 131628985

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole?
The IUPAC name of 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole (CID 115472331) is 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole?
The canonical SMILES for 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole is COC1CNC(c2nc3ccc(Cl)cc3n2C)C1.
What is the InChIKey of 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole?
The InChIKey is LDYOWHNCGMLAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-17-12-5-8(14)3-4-10(12)16-13(17)11-6-9(18-2)7-15-11/h3-5,9,11,15H,6-7H2,1-2H3.
What are the key properties of 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole?
6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole has a molecular weight of 265.74 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole is sourced from PubChem (CID 115472331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).