(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol

C13H19N3O — CID 62594152

IUPAC(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
SMILESCCCC(C)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O/c1-3-4-9(2)16-12-6-5-10(14)7-11(12)15-13(16)8-17/h5-7,9,17H,3-4,8,14H2,1-2H3
InChIKeyNVWVCWMUQBDKFA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds4

About (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol

(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol (PubChem CID 62594152) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
PubChem CID62594152
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
SMILESCCCC(C)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O/c1-3-4-9(2)16-12-6-5-10(14)7-11(12)15-13(16)8-17/h5-7,9,17H,3-4,8,14H2,1-2H3
InChIKeyNVWVCWMUQBDKFA-UHFFFAOYSA-N
XLogP2.47
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
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-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol
CID 63011474
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 62594171
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol
CID 106162666
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-3-methoxypropan-1-ol
CID 114155636
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467
[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol
CID 62595107
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
CID 62508563
[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol
CID 62596554

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol?
The IUPAC name of (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol (CID 62594152) is (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol?
The canonical SMILES for (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol is CCCC(C)n1c(CO)nc2cc(N)ccc21.
What is the InChIKey of (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol?
The InChIKey is NVWVCWMUQBDKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-4-9(2)16-12-6-5-10(14)7-11(12)15-13(16)8-17/h5-7,9,17H,3-4,8,14H2,1-2H3.
What are the key properties of (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol?
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol has a molecular weight of 233.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 62594152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).