5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine

C12H17N3O — CID 141375297

IUPAC5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
SMILESCOCc1ccc2c(c1)nc(N)n2C(C)C
InChIInChI=1S/C12H17N3O/c1-8(2)15-11-5-4-9(7-16-3)6-10(11)14-12(15)13/h4-6,8H,7H2,1-3H3,(H2,13,14)
InChIKeyCEVBCFJRAKXMJC-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.35
Rot. Bonds3

About 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine

5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine (PubChem CID 141375297) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
PubChem CID141375297
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
SMILESCOCc1ccc2c(c1)nc(N)n2C(C)C
InChIInChI=1S/C12H17N3O/c1-8(2)15-11-5-4-9(7-16-3)6-10(11)14-12(15)13/h4-6,8H,7H2,1-3H3,(H2,13,14)
InChIKeyCEVBCFJRAKXMJC-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 66081185
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 43661479
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 115950378
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603
1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine
CID 62990352
5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113494963
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine?
The IUPAC name of 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine (CID 141375297) is 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine is COCc1ccc2c(c1)nc(N)n2C(C)C.
What is the InChIKey of 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine?
The InChIKey is CEVBCFJRAKXMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)15-11-5-4-9(7-16-3)6-10(11)14-12(15)13/h4-6,8H,7H2,1-3H3,(H2,13,14).
What are the key properties of 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine?
5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 141375297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).