tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate

C14H23N3O2 — CID 102970025

IUPACtert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nc2c([nH]1)CCCC2
InChIInChI=1S/C14H23N3O2/c1-9(15-13(18)19-14(2,3)4)12-16-10-7-5-6-8-11(10)17-12/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyYPAVOQCVPIBFAC-SECBINFHSA-N
MW265.36 g/mol
LogP2.87
Rot. Bonds2

About tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate

tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate (PubChem CID 102970025) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate
PubChem CID102970025
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nc2c([nH]1)CCCC2
InChIInChI=1S/C14H23N3O2/c1-9(15-13(18)19-14(2,3)4)12-16-10-7-5-6-8-11(10)17-12/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyYPAVOQCVPIBFAC-SECBINFHSA-N
XLogP2.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamate
CID 102970009
tert-butyl N-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 70920856
tert-butyl N-[1-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate
CID 70229286
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 69315401
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 71055961
tert-butyl N-[(1S)-1-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)-2-methylpropyl]carbamate
CID 102970623
tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate
CID 102970179
tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 59347645
tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate
CID 70861981
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
CID 150711020
tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate
CID 90326467

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate (CID 102970025) is tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1nc2c([nH]1)CCCC2.
What is the InChIKey of tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate?
The InChIKey is YPAVOQCVPIBFAC-SECBINFHSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(15-13(18)19-14(2,3)4)12-16-10-7-5-6-8-11(10)17-12/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 102970025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).