4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal

C14H18N2O — CID 79750345

IUPAC4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
SMILESCCn1c(CCC(C)C=O)nc2ccccc21
InChIInChI=1S/C14H18N2O/c1-3-16-13-7-5-4-6-12(13)15-14(16)9-8-11(2)10-17/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyJNQFSSXUGSTMLB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.82
Rot. Bonds5

About 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal

4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal (PubChem CID 79750345) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
PubChem CID79750345
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
SMILESCCn1c(CCC(C)C=O)nc2ccccc21
InChIInChI=1S/C14H18N2O/c1-3-16-13-7-5-4-6-12(13)15-14(16)9-8-11(2)10-17/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyJNQFSSXUGSTMLB-UHFFFAOYSA-N
XLogP2.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.82
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

2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
2-(4-bromohexyl)-1-ethylbenzimidazole
CID 79751263
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal (CID 79750345) is 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal is CCn1c(CCC(C)C=O)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal?
The InChIKey is JNQFSSXUGSTMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-16-13-7-5-4-6-12(13)15-14(16)9-8-11(2)10-17/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal?
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal has a molecular weight of 230.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal is sourced from PubChem (CID 79750345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).