2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol

C12H16N4O — CID 84795466

IUPAC2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol
SMILESNc1nc2cccc(O)c2n1CC1CCNC1
InChIInChI=1S/C12H16N4O/c13-12-15-9-2-1-3-10(17)11(9)16(12)7-8-4-5-14-6-8/h1-3,8,14,17H,4-7H2,(H2,13,15)
InChIKeyGQHXMUSCOGTSDW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.93
Rot. Bonds2

About 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol

2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol (PubChem CID 84795466) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol.

Molecular Properties

Compound Name2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol
PubChem CID84795466
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol
SMILESNc1nc2cccc(O)c2n1CC1CCNC1
InChIInChI=1S/C12H16N4O/c13-12-15-9-2-1-3-10(17)11(9)16(12)7-8-4-5-14-6-8/h1-3,8,14,17H,4-7H2,(H2,13,15)
InChIKeyGQHXMUSCOGTSDW-UHFFFAOYSA-N
XLogP0.93
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine
CID 84796895
7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
CID 43662069
7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 63547309
5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262188
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223880
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
CID 117264663
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117264327

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol?
The IUPAC name of 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol (CID 84795466) is 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol.
What is the SMILES notation for 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol?
The canonical SMILES for 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol is Nc1nc2cccc(O)c2n1CC1CCNC1.
What is the InChIKey of 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol?
The InChIKey is GQHXMUSCOGTSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-12-15-9-2-1-3-10(17)11(9)16(12)7-8-4-5-14-6-8/h1-3,8,14,17H,4-7H2,(H2,13,15).
What are the key properties of 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol?
2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol has a molecular weight of 232.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol is sourced from PubChem (CID 84795466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).