3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol

C13H17N3O — CID 83858069

IUPAC3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
SMILESCn1c(CC2CCNC2)nc2ccc(O)cc21
InChIInChI=1S/C13H17N3O/c1-16-12-7-10(17)2-3-11(12)15-13(16)6-9-4-5-14-8-9/h2-3,7,9,14,17H,4-6,8H2,1H3
InChIKeyKMNSPABTLXXFFN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds2

About 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol

3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol (PubChem CID 83858069) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol.

Molecular Properties

Compound Name3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
PubChem CID83858069
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
SMILESCn1c(CC2CCNC2)nc2ccc(O)cc21
InChIInChI=1S/C13H17N3O/c1-16-12-7-10(17)2-3-11(12)15-13(16)6-9-4-5-14-8-9/h2-3,7,9,14,17H,4-6,8H2,1H3
InChIKeyKMNSPABTLXXFFN-UHFFFAOYSA-N
XLogP1.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84634258
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 84636845
1-methyl-5-methylsulfonyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 81456225
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[(3S)-pyrrolidin-3-yl]methyl]benzimidazole-5-carboxylate
CID 166114178
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
3-methyl-2-[(3-methylcyclohexyl)methyl]benzimidazole-5-carbonitrile
CID 143699867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol?
The IUPAC name of 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol (CID 83858069) is 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol.
What is the SMILES notation for 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol?
The canonical SMILES for 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol is Cn1c(CC2CCNC2)nc2ccc(O)cc21.
What is the InChIKey of 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol?
The InChIKey is KMNSPABTLXXFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-12-7-10(17)2-3-11(12)15-13(16)6-9-4-5-14-8-9/h2-3,7,9,14,17H,4-6,8H2,1H3.
What are the key properties of 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol?
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol has a molecular weight of 231.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol is sourced from PubChem (CID 83858069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).