phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate

C22H19N3O3 — CID 174930301

IUPACphenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate
SMILESCCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3/c1-2-27-19-12-13-21-20(14-19)23-15-25(21)17-10-8-16(9-11-17)24-22(26)28-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H,24,26)
InChIKeyAMOQYGFWQKCNHD-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.04
Rot. Bonds5

About phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate

phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate (PubChem CID 174930301) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate
PubChem CID174930301
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Namephenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate
SMILESCCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3/c1-2-27-19-12-13-21-20(14-19)23-15-25(21)17-10-8-16(9-11-17)24-22(26)28-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H,24,26)
InChIKeyAMOQYGFWQKCNHD-UHFFFAOYSA-N
XLogP5.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
CID 130424447
[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid
CID 137375457
tert-butyl 2-[1-[4-(phenoxycarbonylamino)phenyl]benzimidazol-5-yl]oxyacetate
CID 162680554
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
CID 121080183
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-[4-[5-(2-ethoxyethoxy)benzimidazol-1-yl]phenyl]urea
CID 130424450
(4-benzamidophenyl) 3-ethoxybenzoate
CID 55883088
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
CID 60553883
4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 137487951
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate (CID 174930301) is phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate is CCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate?
The InChIKey is AMOQYGFWQKCNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-27-19-12-13-21-20(14-19)23-15-25(21)17-10-8-16(9-11-17)24-22(26)28-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H,24,26).
What are the key properties of phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate?
phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate is sourced from PubChem (CID 174930301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).