tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate

C17H26N4O2 — CID 54238697

IUPACtert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)23-16(22)21(5)11-10-20(4)12-15-18-13-8-6-7-9-14(13)19-15/h6-9H,10-12H2,1-5H3,(H,18,19)
InChIKeyQOKVUUXETXJPEY-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate (PubChem CID 54238697) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
PubChem CID54238697
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Nametert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)23-16(22)21(5)11-10-20(4)12-15-18-13-8-6-7-9-14(13)19-15/h6-9H,10-12H2,1-5H3,(H,18,19)
InChIKeyQOKVUUXETXJPEY-UHFFFAOYSA-N
XLogP2.86
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 163397661
tert-butyl N-(1H-benzimidazol-2-ylmethyl)-N-[2-[4-[benzyl(methyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052215
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
tert-butyl N-[4-(1H-benzimidazol-2-ylmethylamino)butan-2-yl]-N-methylcarbamate
CID 57116484
tert-butyl N-[2-[(2-bromophenyl)methyl-methylamino]ethyl]-N-methylcarbamate
CID 162438476
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
CID 86283854
tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate
CID 143544503
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate (CID 54238697) is tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate is CN(CCN(C)C(=O)OC(C)(C)C)Cc1nc2ccccc2[nH]1.
What is the InChIKey of tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is QOKVUUXETXJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)23-16(22)21(5)11-10-20(4)12-15-18-13-8-6-7-9-14(13)19-15/h6-9H,10-12H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 318.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 54238697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).