1-ethyl-2-pentylbenzimidazole

C14H20N2 — CID 3463966

IUPAC1-ethyl-2-pentylbenzimidazole
SMILESCCCCCc1nc2ccccc2n1CC
InChIInChI=1S/C14H20N2/c1-3-5-6-11-14-15-12-9-7-8-10-13(12)16(14)4-2/h7-10H,3-6,11H2,1-2H3
InChIKeyVRVYYFQTEALFJY-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.79
Rot. Bonds5

About 1-ethyl-2-pentylbenzimidazole

1-ethyl-2-pentylbenzimidazole (PubChem CID 3463966) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-ethyl-2-pentylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-pentylbenzimidazole
PubChem CID3463966
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-ethyl-2-pentylbenzimidazole
SMILESCCCCCc1nc2ccccc2n1CC
InChIInChI=1S/C14H20N2/c1-3-5-6-11-14-15-12-9-7-8-10-13(12)16(14)4-2/h7-10H,3-6,11H2,1-2H3
InChIKeyVRVYYFQTEALFJY-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.79
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

2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
2-(4-bromohexyl)-1-ethylbenzimidazole
CID 79751263
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline
CID 4634591

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pentylbenzimidazole?
The IUPAC name of 1-ethyl-2-pentylbenzimidazole (CID 3463966) is 1-ethyl-2-pentylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-pentylbenzimidazole?
The canonical SMILES for 1-ethyl-2-pentylbenzimidazole is CCCCCc1nc2ccccc2n1CC.
What is the InChIKey of 1-ethyl-2-pentylbenzimidazole?
The InChIKey is VRVYYFQTEALFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-5-6-11-14-15-12-9-7-8-10-13(12)16(14)4-2/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-ethyl-2-pentylbenzimidazole?
1-ethyl-2-pentylbenzimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pentylbenzimidazole is sourced from PubChem (CID 3463966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).