1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine

C9H13N5 — CID 123244226

IUPAC1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1N=C2C=CC=CC2N1
InChIInChI=1S/C9H13N5/c1-11-8(10)14-9-12-6-4-2-3-5-7(6)13-9/h2-6,9,12H,1H3,(H3,10,11,14)
InChIKeyXEAZOVJXGMVQON-UHFFFAOYSA-N
MW191.24 g/mol
LogP-0.66
Rot. Bonds1

About 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine

1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine (PubChem CID 123244226) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine
PubChem CID123244226
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1N=C2C=CC=CC2N1
InChIInChI=1S/C9H13N5/c1-11-8(10)14-9-12-6-4-2-3-5-7(6)13-9/h2-6,9,12H,1H3,(H3,10,11,14)
InChIKeyXEAZOVJXGMVQON-UHFFFAOYSA-N
XLogP-0.66
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 58185819
CID 58185819
CID 58625633
CID 58625633
CID 70660433
CID 70660433
CID 139324229
CID 139324229
CID 144476583
CID 144476583
CID 173180409
CID 173180409
CID 176529428
CID 176529428
CID 177037156
CID 177037156
CID 168004641
CID 168004641
CID 177037157
CID 177037157

Frequently Asked Questions

What is the IUPAC name of 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine?
The IUPAC name of 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine (CID 123244226) is 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine?
The canonical SMILES for 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine is C/N=C(\N)NC1N=C2C=CC=CC2N1.
What is the InChIKey of 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine?
The InChIKey is XEAZOVJXGMVQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-11-8(10)14-9-12-6-4-2-3-5-7(6)13-9/h2-6,9,12H,1H3,(H3,10,11,14).
What are the key properties of 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine?
1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine has a molecular weight of 191.24 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine is sourced from PubChem (CID 123244226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).