3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol

C12H17N3O2 — CID 82068272

IUPAC3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
SMILESCOCc1nc2c(N)cccc2n1CCCO
InChIInChI=1S/C12H17N3O2/c1-17-8-11-14-12-9(13)4-2-5-10(12)15(11)6-3-7-16/h2,4-5,16H,3,6-8,13H2,1H3
InChIKeySGZSGAYNGNJXIZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.15
Rot. Bonds5

About 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol

3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 82068272) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
PubChem CID82068272
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
SMILESCOCc1nc2c(N)cccc2n1CCCO
InChIInChI=1S/C12H17N3O2/c1-17-8-11-14-12-9(13)4-2-5-10(12)15(11)6-3-7-16/h2,4-5,16H,3,6-8,13H2,1H3
InChIKeySGZSGAYNGNJXIZ-UHFFFAOYSA-N
XLogP1.15
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82068264
3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
CID 82067574
cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate
CID 82068240
2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
CID 82068013
3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82068123
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
2-butyl-1-(methoxymethyl)benzimidazol-4-amine
CID 82067390
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
2-methylpropyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoate
CID 82068237
ethyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]butanoate
CID 82068224
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392
propyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]butanoate
CID 82068229

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol (CID 82068272) is 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol is COCc1nc2c(N)cccc2n1CCCO.
What is the InChIKey of 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is SGZSGAYNGNJXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-8-11-14-12-9(13)4-2-5-10(12)15(11)6-3-7-16/h2,4-5,16H,3,6-8,13H2,1H3.
What are the key properties of 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol?
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82068272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).