1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine

C14H21N5 — CID 86781685

IUPAC1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine
SMILESCc1cccc2[nH]c(CN=C(N(C)C)N(C)C)nc12
InChIInChI=1S/C14H21N5/c1-10-7-6-8-11-13(10)17-12(16-11)9-15-14(18(2)3)19(4)5/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyDAJUZNCMEIENHQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.85
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine

1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine (PubChem CID 86781685) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine
PubChem CID86781685
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine
SMILESCc1cccc2[nH]c(CN=C(N(C)C)N(C)C)nc12
InChIInChI=1S/C14H21N5/c1-10-7-6-8-11-13(10)17-12(16-11)9-15-14(18(2)3)19(4)5/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyDAJUZNCMEIENHQ-UHFFFAOYSA-N
XLogP1.85
TPSA47.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
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 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine (CID 86781685) is 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine is Cc1cccc2[nH]c(CN=C(N(C)C)N(C)C)nc12.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine?
The InChIKey is DAJUZNCMEIENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10-7-6-8-11-13(10)17-12(16-11)9-15-14(18(2)3)19(4)5/h6-8H,9H2,1-5H3,(H,16,17).
What are the key properties of 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine?
1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine has a molecular weight of 259.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine is sourced from PubChem (CID 86781685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).