2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine

C11H15N5 — CID 103512426

IUPAC2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
SMILESCn1cncc1-c1nc2c([nH]1)CCCC2N
InChIInChI=1S/C11H15N5/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(12)10(8)15-11/h5-7H,2-4,12H2,1H3,(H,14,15)
InChIKeyRXZZSSSFLDAMIU-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.15
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine

2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine (PubChem CID 103512426) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
PubChem CID103512426
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
SMILESCn1cncc1-c1nc2c([nH]1)CCCC2N
InChIInChI=1S/C11H15N5/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(12)10(8)15-11/h5-7H,2-4,12H2,1H3,(H,14,15)
InChIKeyRXZZSSSFLDAMIU-UHFFFAOYSA-N
XLogP1.15
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine (CID 103512426) is 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine is Cn1cncc1-c1nc2c([nH]1)CCCC2N.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine?
The InChIKey is RXZZSSSFLDAMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(12)10(8)15-11/h5-7H,2-4,12H2,1H3,(H,14,15).
What are the key properties of 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine?
2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine is sourced from PubChem (CID 103512426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).