phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate

C23H21N3O4 — CID 130424447

IUPACphenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-28-13-14-29-20-11-12-22-21(15-20)24-16-26(22)18-9-7-17(8-10-18)25-23(27)30-19-5-3-2-4-6-19/h2-12,15-16H,13-14H2,1H3,(H,25,27)
InChIKeySAXOINDEHMYQPV-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.66
Rot. Bonds7

About phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate

phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate (PubChem CID 130424447) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
PubChem CID130424447
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Namephenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-28-13-14-29-20-11-12-22-21(15-20)24-16-26(22)18-9-7-17(8-10-18)25-23(27)30-19-5-3-2-4-6-19/h2-12,15-16H,13-14H2,1H3,(H,25,27)
InChIKeySAXOINDEHMYQPV-UHFFFAOYSA-N
XLogP4.66
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate
CID 174930301
tert-butyl 2-[1-[4-(phenoxycarbonylamino)phenyl]benzimidazol-5-yl]oxyacetate
CID 162680554
[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamic acid
CID 137375457
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385
phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
CID 66876567
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-[4-[5-(2-ethoxyethoxy)benzimidazol-1-yl]phenyl]urea
CID 130424450
N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86912094
N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride
CID 22004137
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
4-[1-[4-[[hydroxy(phenoxy)methyl]amino]phenyl]benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 137487951
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24512638

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate?
The IUPAC name of phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate (CID 130424447) is phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate?
The canonical SMILES for phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate is COCCOc1ccc2c(c1)ncn2-c1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate?
The InChIKey is SAXOINDEHMYQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-13-14-29-20-11-12-22-21(15-20)24-16-26(22)18-9-7-17(8-10-18)25-23(27)30-19-5-3-2-4-6-19/h2-12,15-16H,13-14H2,1H3,(H,25,27).
What are the key properties of phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate?
phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate has a molecular weight of 403.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[5-(2-methoxyethoxy)benzimidazol-1-yl]phenyl]carbamate is sourced from PubChem (CID 130424447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).