[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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Related Compounds

phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate
CID 174930301
phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
CID 130424447
tert-butyl 2-[1-[4-(phenoxycarbonylamino)phenyl]benzimidazol-5-yl]oxyacetate
CID 162680554
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-[4-[5-(2-ethoxyethoxy)benzimidazol-1-yl]phenyl]urea
CID 130424450
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
CID 121080183
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
N-[4-(5-methoxybenzimidazol-1-yl)phenyl]formamide
CID 86676154
(1Z)-1-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-3-[4-(5-hexoxybenzimidazol-1-yl)phenyl]urea;molecular hydrogen
CID 145364902
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570

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).