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

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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).