5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole

C13H17N3O — CID 84794552

IUPAC5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCOc1ccc2c(c1)ncn2CC1CCCN1
InChIInChI=1S/C13H17N3O/c1-17-11-4-5-13-12(7-11)15-9-16(13)8-10-3-2-6-14-10/h4-5,7,9-10,14H,2-3,6,8H2,1H3
InChIKeyPNOBBIQVKPZOTD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.80
Rot. Bonds3

About 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole

5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole (PubChem CID 84794552) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole
PubChem CID84794552
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCOc1ccc2c(c1)ncn2CC1CCCN1
InChIInChI=1S/C13H17N3O/c1-17-11-4-5-13-12(7-11)15-9-16(13)8-10-3-2-6-14-10/h4-5,7,9-10,14H,2-3,6,8H2,1H3
InChIKeyPNOBBIQVKPZOTD-UHFFFAOYSA-N
XLogP1.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 156848421
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102819743
7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
CID 116995296
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070534
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole
CID 82497436
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134373

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole?
The IUPAC name of 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole (CID 84794552) is 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole is COc1ccc2c(c1)ncn2CC1CCCN1.
What is the InChIKey of 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole?
The InChIKey is PNOBBIQVKPZOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-11-4-5-13-12(7-11)15-9-16(13)8-10-3-2-6-14-10/h4-5,7,9-10,14H,2-3,6,8H2,1H3.
What are the key properties of 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole?
5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole has a molecular weight of 231.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 84794552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).