[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol

C12H17N3O — CID 62591105

IUPAC[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
SMILESCC(C)Cn1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C12H17N3O/c1-8(2)6-15-11-4-3-9(13)5-10(11)14-12(15)7-16/h3-5,8,16H,6-7,13H2,1-2H3
InChIKeyADDNDHWYOZFWRW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.77
Rot. Bonds3

About [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol

[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol (PubChem CID 62591105) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
PubChem CID62591105
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
SMILESCC(C)Cn1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C12H17N3O/c1-8(2)6-15-11-4-3-9(13)5-10(11)14-12(15)7-16/h3-5,8,16H,6-7,13H2,1-2H3
InChIKeyADDNDHWYOZFWRW-UHFFFAOYSA-N
XLogP1.77
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.77
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-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol
CID 43912232
[5-amino-1-(dimethylamino)benzimidazol-2-yl]methanol
CID 83024491
[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 165416489
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
CID 55091658
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol
CID 63011474
[5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol
CID 81174050
[5-amino-1-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-yl]methanol
CID 65499669
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol (CID 62591105) is [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol is CC(C)Cn1c(CO)nc2cc(N)ccc21.
What is the InChIKey of [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol?
The InChIKey is ADDNDHWYOZFWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)6-15-11-4-3-9(13)5-10(11)14-12(15)7-16/h3-5,8,16H,6-7,13H2,1-2H3.
What are the key properties of [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol?
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol has a molecular weight of 219.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 62591105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).