2-methylidene-1,3-dioctylbenzimidazole

C24H40N2 — CID 168986251

IUPAC2-methylidene-1,3-dioctylbenzimidazole
SMILESC=C1N(CCCCCCCC)c2ccccc2N1CCCCCCCC
InChIInChI=1S/C24H40N2/c1-4-6-8-10-12-16-20-25-22(3)26(21-17-13-11-9-7-5-2)24-19-15-14-18-23(24)25/h14-15,18-19H,3-13,16-17,20-21H2,1-2H3
InChIKeyGMQQUYBDCVLZSM-UHFFFAOYSA-N
MW356.60 g/mol
LogP7.51
Rot. Bonds14

About 2-methylidene-1,3-dioctylbenzimidazole

2-methylidene-1,3-dioctylbenzimidazole (PubChem CID 168986251) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 2-methylidene-1,3-dioctylbenzimidazole.

Molecular Properties

Compound Name2-methylidene-1,3-dioctylbenzimidazole
PubChem CID168986251
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name2-methylidene-1,3-dioctylbenzimidazole
SMILESC=C1N(CCCCCCCC)c2ccccc2N1CCCCCCCC
InChIInChI=1S/C24H40N2/c1-4-6-8-10-12-16-20-25-22(3)26(21-17-13-11-9-7-5-2)24-19-15-14-18-23(24)25/h14-15,18-19H,3-13,16-17,20-21H2,1-2H3
InChIKeyGMQQUYBDCVLZSM-UHFFFAOYSA-N
XLogP7.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-10-octadecylphenazine
CID 10813380
ethane;10-hexylphenoxazine
CID 143421722
1,3-diethyl-2-methylidenebenzimidazole
CID 13297425
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
7,14-dioctadecylquinoxalino[2,3-b]phenazine
CID 86291587
3-butyl-2-methylidene-1,3-benzoselenazole
CID 23558512
2-bromo-1,3-dihexadecyl-2H-benzimidazole
CID 175104565
4-hexyl-2-propyl-1,4-benzoxazin-3-one
CID 71156433
10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 2852818
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341
1-methyl-3-nonyl-2H-benzimidazole
CID 138678028
10-octyl-3-(10-octylphenothiazin-3-yl)phenothiazine
CID 102519325

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3-dioctylbenzimidazole?
The IUPAC name of 2-methylidene-1,3-dioctylbenzimidazole (CID 168986251) is 2-methylidene-1,3-dioctylbenzimidazole.
What is the SMILES notation for 2-methylidene-1,3-dioctylbenzimidazole?
The canonical SMILES for 2-methylidene-1,3-dioctylbenzimidazole is C=C1N(CCCCCCCC)c2ccccc2N1CCCCCCCC.
What is the InChIKey of 2-methylidene-1,3-dioctylbenzimidazole?
The InChIKey is GMQQUYBDCVLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-4-6-8-10-12-16-20-25-22(3)26(21-17-13-11-9-7-5-2)24-19-15-14-18-23(24)25/h14-15,18-19H,3-13,16-17,20-21H2,1-2H3.
What are the key properties of 2-methylidene-1,3-dioctylbenzimidazole?
2-methylidene-1,3-dioctylbenzimidazole has a molecular weight of 356.60 g/mol, XLogP of 7.51, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-dioctylbenzimidazole is sourced from PubChem (CID 168986251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).