tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate

C15H21N3O2 — CID 142258214

IUPACtert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
SMILESCCc1nc2ccc(CNC(=O)OC(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H21N3O2/c1-5-13-17-11-7-6-10(8-12(11)18-13)9-16-14(19)20-15(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyDELDNTJHNIPPFV-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate

tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate (PubChem CID 142258214) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
PubChem CID142258214
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
SMILESCCc1nc2ccc(CNC(=O)OC(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H21N3O2/c1-5-13-17-11-7-6-10(8-12(11)18-13)9-16-14(19)20-15(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyDELDNTJHNIPPFV-UHFFFAOYSA-N
XLogP3.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate (CID 142258214) is tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate is CCc1nc2ccc(CNC(=O)OC(C)(C)C)cc2[nH]1.
What is the InChIKey of tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate?
The InChIKey is DELDNTJHNIPPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-13-17-11-7-6-10(8-12(11)18-13)9-16-14(19)20-15(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate?
tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate has a molecular weight of 275.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate is sourced from PubChem (CID 142258214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).