benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate

C18H19N3O2 — CID 110791642

IUPACbenzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
SMILESCn1cnc2cc(CCNC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C18H19N3O2/c1-21-13-20-16-11-14(7-8-17(16)21)9-10-19-18(22)23-12-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,19,22)
InChIKeyLOTOMYLSIJIMAK-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.04
Rot. Bonds5

About benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate

benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate (PubChem CID 110791642) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
PubChem CID110791642
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namebenzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
SMILESCn1cnc2cc(CCNC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C18H19N3O2/c1-21-13-20-16-11-14(7-8-17(16)21)9-10-19-18(22)23-12-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,19,22)
InChIKeyLOTOMYLSIJIMAK-UHFFFAOYSA-N
XLogP3.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
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benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
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4-(1-methylbenzimidazol-5-yl)butanehydrazide
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3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate (CID 110791642) is benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate is Cn1cnc2cc(CCNC(=O)OCc3ccccc3)ccc21.
What is the InChIKey of benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate?
The InChIKey is LOTOMYLSIJIMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21-13-20-16-11-14(7-8-17(16)21)9-10-19-18(22)23-12-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,19,22).
What are the key properties of benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate?
benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 110791642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).