(2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol

C13H17N3O — CID 155516393

IUPAC(2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol
SMILESCC1(c2ccc3nc([C@@H](N)CO)[nH]c3c2)CC1
InChIInChI=1S/C13H17N3O/c1-13(4-5-13)8-2-3-10-11(6-8)16-12(15-10)9(14)7-17/h2-3,6,9,17H,4-5,7,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyLAPNNRNPQTVSNS-VIFPVBQESA-N
MW231.30 g/mol
LogP1.61
Rot. Bonds3

About (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol

(2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol (PubChem CID 155516393) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol
PubChem CID155516393
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol
SMILESCC1(c2ccc3nc([C@@H](N)CO)[nH]c3c2)CC1
InChIInChI=1S/C13H17N3O/c1-13(4-5-13)8-2-3-10-11(6-8)16-12(15-10)9(14)7-17/h2-3,6,9,17H,4-5,7,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyLAPNNRNPQTVSNS-VIFPVBQESA-N
XLogP1.61
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol (CID 155516393) is (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol is CC1(c2ccc3nc([C@@H](N)CO)[nH]c3c2)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol?
The InChIKey is LAPNNRNPQTVSNS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(4-5-13)8-2-3-10-11(6-8)16-12(15-10)9(14)7-17/h2-3,6,9,17H,4-5,7,14H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol?
(2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol is sourced from PubChem (CID 155516393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).