2-(1-decyl-4-pyridinylidene)benzimidazole

C22H29N3 — CID 14867065

IUPAC2-(1-decyl-4-pyridinylidene)benzimidazole
SMILESCCCCCCCCCCN1C=CC(=C2N=c3ccccc3=N2)C=C1
InChIInChI=1S/C22H29N3/c1-2-3-4-5-6-7-8-11-16-25-17-14-19(15-18-25)22-23-20-12-9-10-13-21(20)24-22/h9-10,12-15,17-18H,2-8,11,16H2,1H3
InChIKeyQMPARCRRQCQRMN-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.63
Rot. Bonds9

About 2-(1-decyl-4-pyridinylidene)benzimidazole

2-(1-decyl-4-pyridinylidene)benzimidazole (PubChem CID 14867065) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-(1-decyl-4-pyridinylidene)benzimidazole.

Molecular Properties

Compound Name2-(1-decyl-4-pyridinylidene)benzimidazole
PubChem CID14867065
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name2-(1-decyl-4-pyridinylidene)benzimidazole
SMILESCCCCCCCCCCN1C=CC(=C2N=c3ccccc3=N2)C=C1
InChIInChI=1S/C22H29N3/c1-2-3-4-5-6-7-8-11-16-25-17-14-19(15-18-25)22-23-20-12-9-10-13-21(20)24-22/h9-10,12-15,17-18H,2-8,11,16H2,1H3
InChIKeyQMPARCRRQCQRMN-UHFFFAOYSA-N
XLogP4.63
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine
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(2E)-2-but-2-enylidene-6-[4-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-methyl-4-prop-1-en-2-yl-4,5-dihydropyrimidine
CID 143343983
N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 21393596
iridium;1-methyl-3-(2,3,4,5-tetrahydropyridin-6-yl)-4H-indol-4-ide
CID 57687916
(2E)-1-methyl-2-[(2E)-2-[2-methyl-3-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
CID 59933547
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CID 70187422
3-methyl-3,8,8a,9-tetrahydro-2H-isoindolo[1,2-a]isoquinolin-7-ium
CID 90887786
9-Methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium
CID 123579560
N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine
CID 141165638
2,2-Dibutyl-5-methylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-(1-decyl-4-pyridinylidene)benzimidazole?
The IUPAC name of 2-(1-decyl-4-pyridinylidene)benzimidazole (CID 14867065) is 2-(1-decyl-4-pyridinylidene)benzimidazole.
What is the SMILES notation for 2-(1-decyl-4-pyridinylidene)benzimidazole?
The canonical SMILES for 2-(1-decyl-4-pyridinylidene)benzimidazole is CCCCCCCCCCN1C=CC(=C2N=c3ccccc3=N2)C=C1.
What is the InChIKey of 2-(1-decyl-4-pyridinylidene)benzimidazole?
The InChIKey is QMPARCRRQCQRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-2-3-4-5-6-7-8-11-16-25-17-14-19(15-18-25)22-23-20-12-9-10-13-21(20)24-22/h9-10,12-15,17-18H,2-8,11,16H2,1H3.
What are the key properties of 2-(1-decyl-4-pyridinylidene)benzimidazole?
2-(1-decyl-4-pyridinylidene)benzimidazole has a molecular weight of 335.50 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-decyl-4-pyridinylidene)benzimidazole is sourced from PubChem (CID 14867065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).