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

C16H21N3O2 — CID 144734219

IUPACtert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc2ccc(C3CC3)cc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)17-9-14-18-12-7-6-11(10-4-5-10)8-13(12)19-14/h6-8,10H,4-5,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWDQNKJRMDFOHRP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.46
Rot. Bonds3

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

tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate (PubChem CID 144734219) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate
PubChem CID144734219
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nametert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc2ccc(C3CC3)cc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)17-9-14-18-12-7-6-11(10-4-5-10)8-13(12)19-14/h6-8,10H,4-5,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWDQNKJRMDFOHRP-UHFFFAOYSA-N
XLogP3.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate (CID 144734219) is tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1nc2ccc(C3CC3)cc2[nH]1.
What is the InChIKey of tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate?
The InChIKey is WDQNKJRMDFOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)17-9-14-18-12-7-6-11(10-4-5-10)8-13(12)19-14/h6-8,10H,4-5,9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate?
tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate has a molecular weight of 287.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate is sourced from PubChem (CID 144734219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).