6-(2-methylbenzimidazol-1-yl)hexanal

C14H18N2O — CID 169157761

IUPAC6-(2-methylbenzimidazol-1-yl)hexanal
SMILESCc1nc2ccccc2n1CCCCCC=O
InChIInChI=1S/C14H18N2O/c1-12-15-13-8-4-5-9-14(13)16(12)10-6-2-3-7-11-17/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeyNTSSKCNEUOFVBK-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.10
Rot. Bonds6

About 6-(2-methylbenzimidazol-1-yl)hexanal

6-(2-methylbenzimidazol-1-yl)hexanal (PubChem CID 169157761) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(2-methylbenzimidazol-1-yl)hexanal.

Molecular Properties

Compound Name6-(2-methylbenzimidazol-1-yl)hexanal
PubChem CID169157761
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-(2-methylbenzimidazol-1-yl)hexanal
SMILESCc1nc2ccccc2n1CCCCCC=O
InChIInChI=1S/C14H18N2O/c1-12-15-13-8-4-5-9-14(13)16(12)10-6-2-3-7-11-17/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeyNTSSKCNEUOFVBK-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane
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1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbenzimidazol-1-yl)hexanal?
The IUPAC name of 6-(2-methylbenzimidazol-1-yl)hexanal (CID 169157761) is 6-(2-methylbenzimidazol-1-yl)hexanal.
What is the SMILES notation for 6-(2-methylbenzimidazol-1-yl)hexanal?
The canonical SMILES for 6-(2-methylbenzimidazol-1-yl)hexanal is Cc1nc2ccccc2n1CCCCCC=O.
What is the InChIKey of 6-(2-methylbenzimidazol-1-yl)hexanal?
The InChIKey is NTSSKCNEUOFVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12-15-13-8-4-5-9-14(13)16(12)10-6-2-3-7-11-17/h4-5,8-9,11H,2-3,6-7,10H2,1H3.
What are the key properties of 6-(2-methylbenzimidazol-1-yl)hexanal?
6-(2-methylbenzimidazol-1-yl)hexanal has a molecular weight of 230.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbenzimidazol-1-yl)hexanal is sourced from PubChem (CID 169157761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).