1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine

C8H13N3 — CID 83382852

IUPAC1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine
SMILESCn1c(N)nc2c1CCCC2
InChIInChI=1S/C8H13N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H2,1H3,(H2,9,10)
InChIKeyRWDCZASGZPRKGX-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.88
Rot. Bonds

About 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine

1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine (PubChem CID 83382852) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine
PubChem CID83382852
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine
SMILESCn1c(N)nc2c1CCCC2
InChIInChI=1S/C8H13N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H2,1H3,(H2,9,10)
InChIKeyRWDCZASGZPRKGX-UHFFFAOYSA-N
XLogP0.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine (CID 83382852) is 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine.
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine is Cn1c(N)nc2c1CCCC2.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine?
The InChIKey is RWDCZASGZPRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H2,1H3,(H2,9,10).
What are the key properties of 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine?
1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine has a molecular weight of 151.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine is sourced from PubChem (CID 83382852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).