1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol

C13H17N3O — CID 126846264

IUPAC1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol
SMILESNc1nc2ccccc2n1CC1(O)CCCC1
InChIInChI=1S/C13H17N3O/c14-12-15-10-5-1-2-6-11(10)16(12)9-13(17)7-3-4-8-13/h1-2,5-6,17H,3-4,7-9H2,(H2,14,15)
InChIKeyGDABJZRUSGNTCZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds2

About 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol

1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 126846264) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol
PubChem CID126846264
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol
SMILESNc1nc2ccccc2n1CC1(O)CCCC1
InChIInChI=1S/C13H17N3O/c14-12-15-10-5-1-2-6-11(10)16(12)9-13(17)7-3-4-8-13/h1-2,5-6,17H,3-4,7-9H2,(H2,14,15)
InChIKeyGDABJZRUSGNTCZ-UHFFFAOYSA-N
XLogP1.92
TPSA64.07 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine
CID 70205884
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 80613166
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
CID 62993223
N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide
CID 82358892
1-(pyridin-4-ylmethyl)benzimidazol-2-amine
CID 43148815
1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 63712640
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol (CID 126846264) is 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol is Nc1nc2ccccc2n1CC1(O)CCCC1.
What is the InChIKey of 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is GDABJZRUSGNTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-12-15-10-5-1-2-6-11(10)16(12)9-13(17)7-3-4-8-13/h1-2,5-6,17H,3-4,7-9H2,(H2,14,15).
What are the key properties of 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol?
1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 126846264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).