tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate

C14H20N4O2 — CID 163397661

IUPACtert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1nc2ccc(N)cc2[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)18(4)8-12-16-10-6-5-9(15)7-11(10)17-12/h5-7H,8,15H2,1-4H3,(H,16,17)
InChIKeyCOMHZMYVTUISAH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.51
Rot. Bonds2

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

tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate (PubChem CID 163397661) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
PubChem CID163397661
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1nc2ccc(N)cc2[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)18(4)8-12-16-10-6-5-9(15)7-11(10)17-12/h5-7H,8,15H2,1-4H3,(H,16,17)
InChIKeyCOMHZMYVTUISAH-UHFFFAOYSA-N
XLogP2.51
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(6-amino-1H-benzimidazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 91420963
tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
CID 54238697
tert-butyl N-[(5-amino-2-bromophenyl)methyl]-N-methylcarbamate
CID 59315049
2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43588107
tert-butyl N-[(5-amino-2-iodosulfanylphenyl)methyl]-N-methylcarbamate
CID 89133118
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)carbamate
CID 69105949
tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate
CID 114517994
tert-butyl N-[[5-amino-2-(trifluoromethoxy)phenyl]methyl]-N-methylcarbamate
CID 59315399
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
methyl 2-[[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3H-benzimidazole-5-carboxylate
CID 90737877

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate (CID 163397661) is tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate is CN(Cc1nc2ccc(N)cc2[nH]1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate?
The InChIKey is COMHZMYVTUISAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)18(4)8-12-16-10-6-5-9(15)7-11(10)17-12/h5-7H,8,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate has a molecular weight of 276.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 163397661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).