tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate

C12H20N4O2 — CID 70861981

IUPACtert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2nc(N)[nH]c2C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)14-7-4-5-8-9(6-7)16-10(13)15-8/h7H,4-6H2,1-3H3,(H,14,17)(H3,13,15,16)
InChIKeyBFWVQFOXXMGULV-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.37
Rot. Bonds1

About tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate

tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate (PubChem CID 70861981) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate
PubChem CID70861981
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nametert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2nc(N)[nH]c2C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)14-7-4-5-8-9(6-7)16-10(13)15-8/h7H,4-6H2,1-3H3,(H,14,17)(H3,13,15,16)
InChIKeyBFWVQFOXXMGULV-UHFFFAOYSA-N
XLogP1.37
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(7-methyl-3-bicyclo[4.1.0]hept-1(6)-enyl)carbamate
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tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
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tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
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tert-butyl N-(2-amino-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl)carbamate
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tert-butyl N-(5-amino-1,2,3,4,5,6-hexahydropentalen-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate (CID 70861981) is tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2nc(N)[nH]c2C1.
What is the InChIKey of tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate?
The InChIKey is BFWVQFOXXMGULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)14-7-4-5-8-9(6-7)16-10(13)15-8/h7H,4-6H2,1-3H3,(H,14,17)(H3,13,15,16).
What are the key properties of tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate?
tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate has a molecular weight of 252.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate is sourced from PubChem (CID 70861981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).