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

C7H13Cl2N3 — CID 68648173

IUPAC4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride
SMILESCl.Cl.NC1CCc2nc[nH]c2C1
InChIInChI=1S/C7H11N3.2ClH/c8-5-1-2-6-7(3-5)10-4-9-6;;/h4-5H,1-3,8H2,(H,9,10);2*1H
InChIKeyBIFJCLMTULYQPS-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.07
Rot. Bonds

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

4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride (PubChem CID 68648173) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride
PubChem CID68648173
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride
SMILESCl.Cl.NC1CCc2nc[nH]c2C1
InChIInChI=1S/C7H11N3.2ClH/c8-5-1-2-6-7(3-5)10-4-9-6;;/h4-5H,1-3,8H2,(H,9,10);2*1H
InChIKeyBIFJCLMTULYQPS-UHFFFAOYSA-N
XLogP1.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylhistamine
CID 37463
2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride
CID 215819
4,5,6,7-Tetrahydro-1H-benzimidazole
CID 304263
4-Methylhistamine hydrochloride
CID 12456195
N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
CID 90677621
5,N'-Dimethylhistamine
CID 104662
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine
CID 155924
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 16418004
3-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 20515389
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CID 69238739
1H-Imidazole-4-ethanamine, alpha,5-dimethyl-
CID 158290
2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CID 13170819

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride (CID 68648173) is 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride is Cl.Cl.NC1CCc2nc[nH]c2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride?
The InChIKey is BIFJCLMTULYQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c8-5-1-2-6-7(3-5)10-4-9-6;;/h4-5H,1-3,8H2,(H,9,10);2*1H.
What are the key properties of 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride?
4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine;dihydrochloride is sourced from PubChem (CID 68648173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).