(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol

C16H17N3O — CID 44532771

IUPAC(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol
SMILESCc1ccc2c(c1)nc(N)n2C[C@H](O)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-11-7-8-14-13(9-11)18-16(17)19(14)10-15(20)12-5-3-2-4-6-12/h2-9,15,20H,10H2,1H3,(H2,17,18)/t15-/m0/s1
InChIKeyNTEYKSKXVSABKS-HNNXBMFYSA-N
MW267.33 g/mol
LogP2.66
Rot. Bonds3

About (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol

(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol (PubChem CID 44532771) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol
PubChem CID44532771
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol
SMILESCc1ccc2c(c1)nc(N)n2C[C@H](O)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-11-7-8-14-13(9-11)18-16(17)19(14)10-15(20)12-5-3-2-4-6-12/h2-9,15,20H,10H2,1H3,(H2,17,18)/t15-/m0/s1
InChIKeyNTEYKSKXVSABKS-HNNXBMFYSA-N
XLogP2.66
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol?
The IUPAC name of (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol (CID 44532771) is (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol.
What is the SMILES notation for (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol?
The canonical SMILES for (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol is Cc1ccc2c(c1)nc(N)n2C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol?
The InChIKey is NTEYKSKXVSABKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-7-8-14-13(9-11)18-16(17)19(14)10-15(20)12-5-3-2-4-6-12/h2-9,15,20H,10H2,1H3,(H2,17,18)/t15-/m0/s1.
What are the key properties of (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol?
(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol has a molecular weight of 267.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol is sourced from PubChem (CID 44532771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).