tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate

C15H21N3O2 — CID 69315401

IUPACtert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
SMILESCc1ccc2nc(C(C)NC(=O)OC(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-9-6-7-11-12(8-9)18-13(17-11)10(2)16-14(19)20-15(3,4)5/h6-8,10H,1-5H3,(H,16,19)(H,17,18)
InChIKeyRJZGIQCHXSALOI-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.46
Rot. Bonds2

About tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate

tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate (PubChem CID 69315401) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
PubChem CID69315401
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
SMILESCc1ccc2nc(C(C)NC(=O)OC(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-9-6-7-11-12(8-9)18-13(17-11)10(2)16-14(19)20-15(3,4)5/h6-8,10H,1-5H3,(H,16,19)(H,17,18)
InChIKeyRJZGIQCHXSALOI-UHFFFAOYSA-N
XLogP3.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate
CID 70229286
tert-butyl N-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 70920856
tert-butyl N-[(1R)-2-(4-bromophenyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 131748705
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
tert-butyl N-[(1R,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxypropyl]carbamate
CID 86699027
tert-butyl N-[1-(6-bromo-1H-benzimidazol-2-yl)-3,3-dimethylbutyl]carbamate
CID 178001622
tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate
CID 169489442
tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
CID 67048287
tert-butyl N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]carbamate
CID 131748686
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate (CID 69315401) is tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate is Cc1ccc2nc(C(C)NC(=O)OC(C)(C)C)[nH]c2c1.
What is the InChIKey of tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate?
The InChIKey is RJZGIQCHXSALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-6-7-11-12(8-9)18-13(17-11)10(2)16-14(19)20-15(3,4)5/h6-8,10H,1-5H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate?
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate has a molecular weight of 275.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 69315401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).