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

C16H14N2O — CID 18426791

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
SMILESCc1cc2nc(-c3ccc(C=O)cc3)[nH]c2cc1C
InChIInChI=1S/C16H14N2O/c1-10-7-14-15(8-11(10)2)18-16(17-14)13-5-3-12(9-19)4-6-13/h3-9H,1-2H3,(H,17,18)
InChIKeyNRJHEGRNYRSREF-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.66
Rot. Bonds2

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

4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde (PubChem CID 18426791) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
PubChem CID18426791
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
SMILESCc1cc2nc(-c3ccc(C=O)cc3)[nH]c2cc1C
InChIInChI=1S/C16H14N2O/c1-10-7-14-15(8-11(10)2)18-16(17-14)13-5-3-12(9-19)4-6-13/h3-9H,1-2H3,(H,17,18)
InChIKeyNRJHEGRNYRSREF-UHFFFAOYSA-N
XLogP3.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756456
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
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
5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104670981
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
2-(4-amino-3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756504
2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole
CID 143872685

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde (CID 18426791) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde is Cc1cc2nc(-c3ccc(C=O)cc3)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde?
The InChIKey is NRJHEGRNYRSREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-7-14-15(8-11(10)2)18-16(17-14)13-5-3-12(9-19)4-6-13/h3-9H,1-2H3,(H,17,18).
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 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)benzaldehyde is sourced from PubChem (CID 18426791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).