2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride

C8H15Cl2N3 — CID 86775639

IUPAC2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride
SMILESCc1nc2c([nH]1)CC(N)CC2.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-5-10-7-3-2-6(9)4-8(7)11-5;;/h6H,2-4,9H2,1H3,(H,10,11);2*1H
InChIKeyNQDQXKTWEFSMPP-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.38
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride

2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride (PubChem CID 86775639) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride
PubChem CID86775639
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride
SMILESCc1nc2c([nH]1)CC(N)CC2.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-5-10-7-3-2-6(9)4-8(7)11-5;;/h6H,2-4,9H2,1H3,(H,10,11);2*1H
InChIKeyNQDQXKTWEFSMPP-UHFFFAOYSA-N
XLogP1.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride (CID 86775639) is 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride is Cc1nc2c([nH]1)CC(N)CC2.Cl.Cl.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride?
The InChIKey is NQDQXKTWEFSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-5-10-7-3-2-6(9)4-8(7)11-5;;/h6H,2-4,9H2,1H3,(H,10,11);2*1H.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride?
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride is sourced from PubChem (CID 86775639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).