5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine

C16H18N4 — CID 56736956

IUPAC5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
SMILESCc1cc2nc(-c3cc(N)c(C)c(N)c3)[nH]c2cc1C
InChIInChI=1S/C16H18N4/c1-8-4-14-15(5-9(8)2)20-16(19-14)11-6-12(17)10(3)13(18)7-11/h4-7H,17-18H2,1-3H3,(H,19,20)
InChIKeyGYSUWIDQKOIRFO-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.32
Rot. Bonds1

About 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine

5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine (PubChem CID 56736956) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
PubChem CID56736956
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
SMILESCc1cc2nc(-c3cc(N)c(C)c(N)c3)[nH]c2cc1C
InChIInChI=1S/C16H18N4/c1-8-4-14-15(5-9(8)2)20-16(19-14)11-6-12(17)10(3)13(18)7-11/h4-7H,17-18H2,1-3H3,(H,19,20)
InChIKeyGYSUWIDQKOIRFO-UHFFFAOYSA-N
XLogP3.32
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 56736961
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 62336559
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915474
5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104670981
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 135486035

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine (CID 56736956) is 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine is Cc1cc2nc(-c3cc(N)c(C)c(N)c3)[nH]c2cc1C.
What is the InChIKey of 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine?
The InChIKey is GYSUWIDQKOIRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-8-4-14-15(5-9(8)2)20-16(19-14)11-6-12(17)10(3)13(18)7-11/h4-7H,17-18H2,1-3H3,(H,19,20).
What are the key properties of 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine?
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 56736956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).