2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine

C10H13N3 — CID 170595800

IUPAC2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine
SMILESCc1nc2c([nH]1)C(C)(N)C=CC=C2
InChIInChI=1S/C10H13N3/c1-7-12-8-5-3-4-6-10(2,11)9(8)13-7/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyZVWBFKPIDPJYAW-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.48
Rot. Bonds

About 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine

2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine (PubChem CID 170595800) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine.

Molecular Properties

Compound Name2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine
PubChem CID170595800
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine
SMILESCc1nc2c([nH]1)C(C)(N)C=CC=C2
InChIInChI=1S/C10H13N3/c1-7-12-8-5-3-4-6-10(2,11)9(8)13-7/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyZVWBFKPIDPJYAW-UHFFFAOYSA-N
XLogP1.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine?
The IUPAC name of 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine (CID 170595800) is 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine.
What is the SMILES notation for 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine?
The canonical SMILES for 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine is Cc1nc2c([nH]1)C(C)(N)C=CC=C2.
What is the InChIKey of 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine?
The InChIKey is ZVWBFKPIDPJYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-12-8-5-3-4-6-10(2,11)9(8)13-7/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine?
2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine has a molecular weight of 175.23 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3H-cyclohepta[d]imidazol-4-amine is sourced from PubChem (CID 170595800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).