3-(2-methylbenzimidazol-1-yl)propanal

C11H12N2O — CID 63041699

IUPAC3-(2-methylbenzimidazol-1-yl)propanal
SMILESCc1nc2ccccc2n1CCC=O
InChIInChI=1S/C11H12N2O/c1-9-12-10-5-2-3-6-11(10)13(9)7-4-8-14/h2-3,5-6,8H,4,7H2,1H3
InChIKeyONWLVLBBWLAITC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.93
Rot. Bonds3

About 3-(2-methylbenzimidazol-1-yl)propanal

3-(2-methylbenzimidazol-1-yl)propanal (PubChem CID 63041699) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)propanal.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)propanal
PubChem CID63041699
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(2-methylbenzimidazol-1-yl)propanal
SMILESCc1nc2ccccc2n1CCC=O
InChIInChI=1S/C11H12N2O/c1-9-12-10-5-2-3-6-11(10)13(9)7-4-8-14/h2-3,5-6,8H,4,7H2,1H3
InChIKeyONWLVLBBWLAITC-UHFFFAOYSA-N
XLogP1.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methylbenzimidazol-1-yl)hexanal
CID 169157761
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)propanal?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)propanal (CID 63041699) is 3-(2-methylbenzimidazol-1-yl)propanal.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)propanal?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)propanal is Cc1nc2ccccc2n1CCC=O.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)propanal?
The InChIKey is ONWLVLBBWLAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-12-10-5-2-3-6-11(10)13(9)7-4-8-14/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 3-(2-methylbenzimidazol-1-yl)propanal?
3-(2-methylbenzimidazol-1-yl)propanal has a molecular weight of 188.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)propanal is sourced from PubChem (CID 63041699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).