2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide

C15H14N4 — CID 107110473

IUPAC2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1-n1cnc2ccccc21
InChIInChI=1S/C15H14N4/c1-10-5-4-6-11(15(16)17)14(10)19-9-18-12-7-2-3-8-13(12)19/h2-9H,1H3,(H3,16,17)
InChIKeyPCQUODKILAQNJL-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.62
Rot. Bonds2

About 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide

2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide (PubChem CID 107110473) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
PubChem CID107110473
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1-n1cnc2ccccc21
InChIInChI=1S/C15H14N4/c1-10-5-4-6-11(15(16)17)14(10)19-9-18-12-7-2-3-8-13(12)19/h2-9H,1H3,(H3,16,17)
InChIKeyPCQUODKILAQNJL-UHFFFAOYSA-N
XLogP2.62
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466
4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide
CID 112755822
2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82253500
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781
1-hydroxybenzimidazole-4-carboximidamide
CID 122687135
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
CID 107109980
3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 107110421
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107110287
3-methyl-2-(4-methylbenzimidazol-1-yl)phenol
CID 143995966
3-methyl-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387226
3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide
CID 62894396

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide (CID 107110473) is 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide?
The InChIKey is PCQUODKILAQNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-10-5-4-6-11(15(16)17)14(10)19-9-18-12-7-2-3-8-13(12)19/h2-9H,1H3,(H3,16,17).
What are the key properties of 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide?
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide has a molecular weight of 250.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).