2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde

C16H14N2O2 — CID 10849367

IUPAC2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde
SMILESCOc1nc2ccccc2n1Cc1ccccc1C=O
InChIInChI=1S/C16H14N2O2/c1-20-16-17-14-8-4-5-9-15(14)18(16)10-12-6-2-3-7-13(12)11-19/h2-9,11H,10H2,1H3
InChIKeyJSHBGOPFWAJYLZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds4

About 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde

2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde (PubChem CID 10849367) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde.

Molecular Properties

Compound Name2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde
PubChem CID10849367
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde
SMILESCOc1nc2ccccc2n1Cc1ccccc1C=O
InChIInChI=1S/C16H14N2O2/c1-20-16-17-14-8-4-5-9-15(14)18(16)10-12-6-2-3-7-13(12)11-19/h2-9,11H,10H2,1H3
InChIKeyJSHBGOPFWAJYLZ-UHFFFAOYSA-N
XLogP2.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methoxybenzimidazol-1-yl)methyl]benzoate
CID 10851452
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262927
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
2-methoxy-1-methylbenzimidazole;propane
CID 160678842
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969979
N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde?
The IUPAC name of 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde (CID 10849367) is 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde.
What is the SMILES notation for 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde?
The canonical SMILES for 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde is COc1nc2ccccc2n1Cc1ccccc1C=O.
What is the InChIKey of 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde?
The InChIKey is JSHBGOPFWAJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16-17-14-8-4-5-9-15(14)18(16)10-12-6-2-3-7-13(12)11-19/h2-9,11H,10H2,1H3.
What are the key properties of 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde?
2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzimidazol-1-yl)methyl]benzaldehyde is sourced from PubChem (CID 10849367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).