5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide

C14H20N4 — CID 54966278

IUPAC5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C14H20N4/c1-10-7-12-13(8-11(10)2)18(9-17-12)6-4-3-5-14(15)16/h7-9H,3-6H2,1-2H3,(H3,15,16)
InChIKeyMFDHGCUHOCISDV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.76
Rot. Bonds5

About 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide

5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide (PubChem CID 54966278) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide.

Molecular Properties

Compound Name5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide
PubChem CID54966278
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C14H20N4/c1-10-7-12-13(8-11(10)2)18(9-17-12)6-4-3-5-14(15)16/h7-9H,3-6H2,1-2H3,(H3,15,16)
InChIKeyMFDHGCUHOCISDV-UHFFFAOYSA-N
XLogP2.76
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide 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

4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252771
5,6-dimethyl-1-nonylbenzimidazole
CID 16994999
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 16615175
3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide
CID 54945365
1-(3-ethylsulfanylpropyl)-5,6-dimethylbenzimidazole
CID 115650935
1-hept-6-enyl-5,6-dimethylbenzimidazole
CID 107010217
2-(5,6-dimethylbenzimidazol-1-yl)ethyl N,N-dimethylcarbamate
CID 91661402
1-[4-(2,4-dimethylphenoxy)butyl]-5,6-dimethylbenzimidazole
CID 16995055
1-[4-(2,5-dimethylphenoxy)butyl]-5,6-dimethylbenzimidazole
CID 16995057
2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370856
1-[4-[3-(5,6-dimethylbenzimidazol-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 2977634
4-(5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62449256

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide?
The IUPAC name of 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide (CID 54966278) is 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide.
What is the SMILES notation for 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide?
The canonical SMILES for 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide is [H]/N=C(\N)CCCCn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide?
The InChIKey is MFDHGCUHOCISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-7-12-13(8-11(10)2)18(9-17-12)6-4-3-5-14(15)16/h7-9H,3-6H2,1-2H3,(H3,15,16).
What are the key properties of 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide?
5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide has a molecular weight of 244.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide is sourced from PubChem (CID 54966278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).