ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate

C19H20N2O2 — CID 155778333

IUPACethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
SMILESCCOC(=O)CCCn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C19H20N2O2/c1-2-23-18(22)13-8-14-21-17-12-7-6-11-16(17)20-19(21)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3
InChIKeyYFVCJYZJOSFPRB-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.05
Rot. Bonds6

About ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate

ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate (PubChem CID 155778333) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
PubChem CID155778333
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
SMILESCCOC(=O)CCCn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C19H20N2O2/c1-2-23-18(22)13-8-14-21-17-12-7-6-11-16(17)20-19(21)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3
InChIKeyYFVCJYZJOSFPRB-UHFFFAOYSA-N
XLogP4.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate?
The IUPAC name of ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate (CID 155778333) is ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate?
The canonical SMILES for ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate is CCOC(=O)CCCn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate?
The InChIKey is YFVCJYZJOSFPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-23-18(22)13-8-14-21-17-12-7-6-11-16(17)20-19(21)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3.
What are the key properties of ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate?
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate has a molecular weight of 308.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate is sourced from PubChem (CID 155778333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).