4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline

C15H15N3 — CID 14641349

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2nc(-c3ccc(N)cc3)[nH]c2cc1C
InChIInChI=1S/C15H15N3/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-3-5-12(16)6-4-11/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyVFCIVOLORKWIBB-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.43
Rot. Bonds1

About 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline

4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline (PubChem CID 14641349) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
PubChem CID14641349
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2nc(-c3ccc(N)cc3)[nH]c2cc1C
InChIInChI=1S/C15H15N3/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-3-5-12(16)6-4-11/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyVFCIVOLORKWIBB-UHFFFAOYSA-N
XLogP3.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
CID 139202619
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104670981
2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 56736961

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline (CID 14641349) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline is Cc1cc2nc(-c3ccc(N)cc3)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is VFCIVOLORKWIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-3-5-12(16)6-4-11/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 237.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 14641349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).