1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate

C17H24N4O4 — CID 18948009

IUPAC1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
SMILESCCCCNC(=O)n1c(NC(=O)OC(C)OCC)nc2ccccc21
InChIInChI=1S/C17H24N4O4/c1-4-6-11-18-16(22)21-14-10-8-7-9-13(14)19-15(21)20-17(23)25-12(3)24-5-2/h7-10,12H,4-6,11H2,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyBOZRJDRWAHRKAY-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.33
Rot. Bonds7

About 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate

1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate (PubChem CID 18948009) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Name1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
PubChem CID18948009
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
SMILESCCCCNC(=O)n1c(NC(=O)OC(C)OCC)nc2ccccc21
InChIInChI=1S/C17H24N4O4/c1-4-6-11-18-16(22)21-14-10-8-7-9-13(14)19-15(21)20-17(23)25-12(3)24-5-2/h7-10,12H,4-6,11H2,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyBOZRJDRWAHRKAY-UHFFFAOYSA-N
XLogP3.33
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(5-aminopentylcarbamoyl)benzimidazol-2-yl]carbamate
CID 70848441
ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate
CID 139224349
N-butyl-2-methylsulfanylbenzimidazole-1-carboxamide
CID 5096202
ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;methyl N-(1H-benzimidazol-2-yl)carbamate;methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
CID 87339867
N-butyl-2-methylbenzimidazole-1-carboxamide carbamate
CID 19876932
ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
CID 640772
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
CID 67762400
[1-(butylcarbamoyloxy)benzimidazol-2-yl]methylcarbamic acid
CID 175012990
N-[1-(hexylcarbamoyl)benzimidazol-2-yl]-N-methylcarbamate
CID 57376670
2-[1-[(4-ethoxy-4-hydroxybutyl)carbamoylamino]-2-methylpropan-2-yl]benzimidazole-1-carboxylic acid
CID 175510810
2-amino-N-ethylbenzimidazole-1-carboxamide
CID 12526522
N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide
CID 156708251

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate?
The IUPAC name of 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate (CID 18948009) is 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate.
What is the SMILES notation for 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate?
The canonical SMILES for 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate is CCCCNC(=O)n1c(NC(=O)OC(C)OCC)nc2ccccc21.
What is the InChIKey of 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate?
The InChIKey is BOZRJDRWAHRKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-4-6-11-18-16(22)21-14-10-8-7-9-13(14)19-15(21)20-17(23)25-12(3)24-5-2/h7-10,12H,4-6,11H2,1-3H3,(H,18,22)(H,19,20,23).
What are the key properties of 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate?
1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate is sourced from PubChem (CID 18948009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).