2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C20H23N5 — CID 119145911

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCc1ccc2nc(C/N=C(\N)Nc3cccc4c3CCCC4)[nH]c2c1
InChIInChI=1S/C20H23N5/c1-13-9-10-17-18(11-13)24-19(23-17)12-22-20(21)25-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8-11H,2-3,5,7,12H2,1H3,(H,23,24)(H3,21,22,25)
InChIKeyHVJAVUQRUWXEOM-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.68
Rot. Bonds3

About 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 119145911) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID119145911
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCc1ccc2nc(C/N=C(\N)Nc3cccc4c3CCCC4)[nH]c2c1
InChIInChI=1S/C20H23N5/c1-13-9-10-17-18(11-13)24-19(23-17)12-22-20(21)25-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8-11H,2-3,5,7,12H2,1H3,(H,23,24)(H3,21,22,25)
InChIKeyHVJAVUQRUWXEOM-UHFFFAOYSA-N
XLogP3.68
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.68
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-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 119145911) is 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is Cc1ccc2nc(C/N=C(\N)Nc3cccc4c3CCCC4)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is HVJAVUQRUWXEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-13-9-10-17-18(11-13)24-19(23-17)12-22-20(21)25-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8-11H,2-3,5,7,12H2,1H3,(H,23,24)(H3,21,22,25).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 333.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 119145911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).