cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol

C13H17N3O — CID 139447970

IUPACcis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol
SMILESNc1nc2ccccc2n1[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C13H17N3O/c14-13-15-11-6-1-2-7-12(11)16(13)9-4-3-5-10(17)8-9/h1-2,6-7,9-10,17H,3-5,8H2,(H2,14,15)/t9-,10+/m1/s1
InChIKeyGSTYYSXXJWHHAX-ZJUUUORDSA-N
MW231.30 g/mol
LogP2.09
Rot. Bonds1

About cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol

cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol (PubChem CID 139447970) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol
PubChem CID139447970
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Namecis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol
SMILESNc1nc2ccccc2n1[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C13H17N3O/c14-13-15-11-6-1-2-7-12(11)16(13)9-4-3-5-10(17)8-9/h1-2,6-7,9-10,17H,3-5,8H2,(H2,14,15)/t9-,10+/m1/s1
InChIKeyGSTYYSXXJWHHAX-ZJUUUORDSA-N
XLogP2.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,4R)-4-(2-aminobenzimidazol-1-yl)cyclohexane-1,2-diol
CID 139447792
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
CID 53260727
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058
1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine
CID 134277842
5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine
CID 43662068
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
CID 21268138
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 162638010
1-cyclobutyl-7-fluorobenzimidazol-2-amine
CID 84778426
4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine
CID 65472995

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol (CID 139447970) is cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol is Nc1nc2ccccc2n1[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is GSTYYSXXJWHHAX-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13-15-11-6-1-2-7-12(11)16(13)9-4-3-5-10(17)8-9/h1-2,6-7,9-10,17H,3-5,8H2,(H2,14,15)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol?
cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 139447970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).