2-pentoxy-1-prop-1-en-2-ylbenzimidazole

C15H20N2O — CID 142654038

IUPAC2-pentoxy-1-prop-1-en-2-ylbenzimidazole
SMILESC=C(C)n1c(OCCCCC)nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-4-5-8-11-18-15-16-13-9-6-7-10-14(13)17(15)12(2)3/h6-7,9-10H,2,4-5,8,11H2,1,3H3
InChIKeyQVVFWZQZEHJBNG-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.10
Rot. Bonds6

About 2-pentoxy-1-prop-1-en-2-ylbenzimidazole

2-pentoxy-1-prop-1-en-2-ylbenzimidazole (PubChem CID 142654038) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-pentoxy-1-prop-1-en-2-ylbenzimidazole.

Molecular Properties

Compound Name2-pentoxy-1-prop-1-en-2-ylbenzimidazole
PubChem CID142654038
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-pentoxy-1-prop-1-en-2-ylbenzimidazole
SMILESC=C(C)n1c(OCCCCC)nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-4-5-8-11-18-15-16-13-9-6-7-10-14(13)17(15)12(2)3/h6-7,9-10H,2,4-5,8,11H2,1,3H3
InChIKeyQVVFWZQZEHJBNG-UHFFFAOYSA-N
XLogP4.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.10
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

5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol
CID 22643415
2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole
CID 22643420
2-butoxy-1-pyridin-4-ylbenzimidazole
CID 20535846
1-phenyl-2-propoxybenzimidazole
CID 67816622
2,3-didodecoxyquinoxaline
CID 139934452
hexyl 1-methylbenzimidazole-2-carboxylate
CID 135058343
2-[4-dodecoxy-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylbenzimidazole
CID 71295623
butyl 2-(chloromethyl)benzimidazole-1-carboxylate
CID 69157266
2-pentoxy-1,3-benzoxazole
CID 175319075
1-(2-diethylphosphanylbenzimidazol-1-yl)ethanone
CID 122452577
1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
CID 12706858
2-ethoxy-N,N-dimethylbenzimidazol-1-amine
CID 67743844

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-1-prop-1-en-2-ylbenzimidazole?
The IUPAC name of 2-pentoxy-1-prop-1-en-2-ylbenzimidazole (CID 142654038) is 2-pentoxy-1-prop-1-en-2-ylbenzimidazole.
What is the SMILES notation for 2-pentoxy-1-prop-1-en-2-ylbenzimidazole?
The canonical SMILES for 2-pentoxy-1-prop-1-en-2-ylbenzimidazole is C=C(C)n1c(OCCCCC)nc2ccccc21.
What is the InChIKey of 2-pentoxy-1-prop-1-en-2-ylbenzimidazole?
The InChIKey is QVVFWZQZEHJBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-8-11-18-15-16-13-9-6-7-10-14(13)17(15)12(2)3/h6-7,9-10H,2,4-5,8,11H2,1,3H3.
What are the key properties of 2-pentoxy-1-prop-1-en-2-ylbenzimidazole?
2-pentoxy-1-prop-1-en-2-ylbenzimidazole has a molecular weight of 244.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-1-prop-1-en-2-ylbenzimidazole is sourced from PubChem (CID 142654038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).