(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol

C20H25N3O — CID 780714

IUPAC(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1C[C@H](O)C(C)(C)C
InChIInChI=1S/C20H25N3O/c1-20(2,3)18(24)14-23-17-12-8-7-11-16(17)22(19(23)21)13-15-9-5-4-6-10-15/h4-12,18,21,24H,13-14H2,1-3H3/b21-19-/t18-/m0/s1
InChIKeyXAIYXEPUHDXXQO-GRNWLOBZSA-N
MW323.44 g/mol
LogP3.38
Rot. Bonds4

About (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol

(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol (PubChem CID 780714) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol
PubChem CID780714
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1C[C@H](O)C(C)(C)C
InChIInChI=1S/C20H25N3O/c1-20(2,3)18(24)14-23-17-12-8-7-11-16(17)22(19(23)21)13-15-9-5-4-6-10-15/h4-12,18,21,24H,13-14H2,1-3H3/b21-19-/t18-/m0/s1
InChIKeyXAIYXEPUHDXXQO-GRNWLOBZSA-N
XLogP3.38
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol (CID 780714) is (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol is [H]/N=c1/n(Cc2ccccc2)c2ccccc2n1C[C@H](O)C(C)(C)C.
What is the InChIKey of (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is XAIYXEPUHDXXQO-GRNWLOBZSA-N. The full InChI is InChI=1S/C20H25N3O/c1-20(2,3)18(24)14-23-17-12-8-7-11-16(17)22(19(23)21)13-15-9-5-4-6-10-15/h4-12,18,21,24H,13-14H2,1-3H3/b21-19-/t18-/m0/s1.
What are the key properties of (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol?
(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 323.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 780714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).