[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid

C16H15N3O3 — CID 137375457

IUPAC[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid
SMILESCCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)O)cc1
InChIInChI=1S/C16H15N3O3/c1-2-22-13-7-8-15-14(9-13)17-10-19(15)12-5-3-11(4-6-12)18-16(20)21/h3-10,18H,2H2,1H3,(H,20,21)
InChIKeyOVOTUPYGGJFMGT-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.51
Rot. Bonds4

About [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid

[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid (PubChem CID 137375457) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid
PubChem CID137375457
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid
SMILESCCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)O)cc1
InChIInChI=1S/C16H15N3O3/c1-2-22-13-7-8-15-14(9-13)17-10-19(15)12-5-3-11(4-6-12)18-16(20)21/h3-10,18H,2H2,1H3,(H,20,21)
InChIKeyOVOTUPYGGJFMGT-UHFFFAOYSA-N
XLogP3.51
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid?
The IUPAC name of [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid (CID 137375457) is [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid?
The canonical SMILES for [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid is CCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid?
The InChIKey is OVOTUPYGGJFMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-22-13-7-8-15-14(9-13)17-10-19(15)12-5-3-11(4-6-12)18-16(20)21/h3-10,18H,2H2,1H3,(H,20,21).
What are the key properties of [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid?
[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid has a molecular weight of 297.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid is sourced from PubChem (CID 137375457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).