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

C8H13N3 — CID 123141253

IUPAC6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine
SMILESCC1CC2=NCN=C2CC1N
InChIInChI=1S/C8H13N3/c1-5-2-7-8(3-6(5)9)11-4-10-7/h5-6H,2-4,9H2,1H3
InChIKeyMPEPFDGGGASVDU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.60
Rot. Bonds

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

6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine (PubChem CID 123141253) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine.

Molecular Properties

Compound Name6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine
PubChem CID123141253
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine
SMILESCC1CC2=NCN=C2CC1N
InChIInChI=1S/C8H13N3/c1-5-2-7-8(3-6(5)9)11-4-10-7/h5-6H,2-4,9H2,1H3
InChIKeyMPEPFDGGGASVDU-UHFFFAOYSA-N
XLogP0.60
TPSA50.74 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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine?
The IUPAC name of 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine (CID 123141253) is 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine.
What is the SMILES notation for 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine?
The canonical SMILES for 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine is CC1CC2=NCN=C2CC1N.
What is the InChIKey of 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine?
The InChIKey is MPEPFDGGGASVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-2-7-8(3-6(5)9)11-4-10-7/h5-6H,2-4,9H2,1H3.
What are the key properties of 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine?
6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine has a molecular weight of 151.21 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7-tetrahydro-2H-benzimidazol-5-amine is sourced from PubChem (CID 123141253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).