(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol

C15H23N3O — CID 79244373

IUPAC(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
SMILESCCCc1nc2cc(N)ccc2n1[C@@H](CO)C(C)C
InChIInChI=1S/C15H23N3O/c1-4-5-15-17-12-8-11(16)6-7-13(12)18(15)14(9-19)10(2)3/h6-8,10,14,19H,4-5,9,16H2,1-3H3/t14-/m0/s1
InChIKeyDWWVPUXSHNCELJ-AWEZNQCLSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds5

About (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol

(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol (PubChem CID 79244373) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
PubChem CID79244373
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
SMILESCCCc1nc2cc(N)ccc2n1[C@@H](CO)C(C)C
InChIInChI=1S/C15H23N3O/c1-4-5-15-17-12-8-11(16)6-7-13(12)18(15)14(9-19)10(2)3/h6-8,10,14,19H,4-5,9,16H2,1-3H3/t14-/m0/s1
InChIKeyDWWVPUXSHNCELJ-AWEZNQCLSA-N
XLogP2.76
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
CID 62508066
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
CID 62508563
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
CID 114357790
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol
CID 106176317
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
CID 63959143
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 62594171
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol (CID 79244373) is (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol is CCCc1nc2cc(N)ccc2n1[C@@H](CO)C(C)C.
What is the InChIKey of (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol?
The InChIKey is DWWVPUXSHNCELJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-5-15-17-12-8-11(16)6-7-13(12)18(15)14(9-19)10(2)3/h6-8,10,14,19H,4-5,9,16H2,1-3H3/t14-/m0/s1.
What are the key properties of (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol?
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 79244373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).