3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol

C14H21N3O — CID 107835391

IUPAC3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol
SMILESCC(C)(C)n1c(C(O)CCN)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)17-11-7-5-4-6-10(11)16-13(17)12(18)8-9-15/h4-7,12,18H,8-9,15H2,1-3H3
InChIKeyHJOWZVBGYPYSHA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds3

About 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol

3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol (PubChem CID 107835391) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol
PubChem CID107835391
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol
SMILESCC(C)(C)n1c(C(O)CCN)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)17-11-7-5-4-6-10(11)16-13(17)12(18)8-9-15/h4-7,12,18H,8-9,15H2,1-3H3
InChIKeyHJOWZVBGYPYSHA-UHFFFAOYSA-N
XLogP2.17
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine
CID 114144442
1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine
CID 62479144
ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate
CID 79480777
(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 62696105
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835425
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
CID 107835396
2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
CID 82144552
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
(1S)-1-(1-aminobenzimidazol-2-yl)ethanol
CID 6543863

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol (CID 107835391) is 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol is CC(C)(C)n1c(C(O)CCN)nc2ccccc21.
What is the InChIKey of 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is HJOWZVBGYPYSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)17-11-7-5-4-6-10(11)16-13(17)12(18)8-9-15/h4-7,12,18H,8-9,15H2,1-3H3.
What are the key properties of 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol?
3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 107835391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).