tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate

C15H20ClN3O3 — CID 67048287

IUPACtert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
SMILESCOC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H20ClN3O3/c1-15(2,3)22-14(20)19-12(8-21-4)13-17-10-6-5-9(16)7-11(10)18-13/h5-7,12H,8H2,1-4H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyACEQGJIWRRZNLG-LBPRGKRZSA-N
MW325.80 g/mol
LogP3.43
Rot. Bonds4

About tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate

tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate (PubChem CID 67048287) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
PubChem CID67048287
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Nametert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
SMILESCOC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H20ClN3O3/c1-15(2,3)22-14(20)19-12(8-21-4)13-17-10-6-5-9(16)7-11(10)18-13/h5-7,12H,8H2,1-4H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyACEQGJIWRRZNLG-LBPRGKRZSA-N
XLogP3.43
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate (CID 67048287) is tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate is COC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate?
The InChIKey is ACEQGJIWRRZNLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-15(2,3)22-14(20)19-12(8-21-4)13-17-10-6-5-9(16)7-11(10)18-13/h5-7,12H,8H2,1-4H3,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate?
tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate has a molecular weight of 325.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate is sourced from PubChem (CID 67048287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).