2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine

C10H17N5 — CID 142941462

IUPAC2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine
SMILESCCC1CCc2nc(N=C(N)N)[nH]c2C1
InChIInChI=1S/C10H17N5/c1-2-6-3-4-7-8(5-6)14-10(13-7)15-9(11)12/h6H,2-5H2,1H3,(H5,11,12,13,14,15)
InChIKeyBRBGSANDBXVSGN-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.83
Rot. Bonds2

About 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine

2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine (PubChem CID 142941462) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine
PubChem CID142941462
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine
SMILESCCC1CCc2nc(N=C(N)N)[nH]c2C1
InChIInChI=1S/C10H17N5/c1-2-6-3-4-7-8(5-6)14-10(13-7)15-9(11)12/h6H,2-5H2,1H3,(H5,11,12,13,14,15)
InChIKeyBRBGSANDBXVSGN-UHFFFAOYSA-N
XLogP0.83
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine?
The IUPAC name of 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine (CID 142941462) is 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine.
What is the SMILES notation for 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine?
The canonical SMILES for 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine is CCC1CCc2nc(N=C(N)N)[nH]c2C1.
What is the InChIKey of 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine?
The InChIKey is BRBGSANDBXVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-6-3-4-7-8(5-6)14-10(13-7)15-9(11)12/h6H,2-5H2,1H3,(H5,11,12,13,14,15).
What are the key properties of 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine?
2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine has a molecular weight of 207.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)guanidine is sourced from PubChem (CID 142941462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).