methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate

C14H17N3O3S — CID 117065290

IUPACmethyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(S(=O)C3CCCC3)cc2[nH]1
InChIInChI=1S/C14H17N3O3S/c1-20-14(18)17-13-15-11-7-6-10(8-12(11)16-13)21(19)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyDGUVQBSVQMBPNP-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.79
Rot. Bonds3

About methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate

methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 117065290) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate
PubChem CID117065290
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Namemethyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(S(=O)C3CCCC3)cc2[nH]1
InChIInChI=1S/C14H17N3O3S/c1-20-14(18)17-13-15-11-7-6-10(8-12(11)16-13)21(19)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyDGUVQBSVQMBPNP-UHFFFAOYSA-N
XLogP2.79
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate (CID 117065290) is methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccc(S(=O)C3CCCC3)cc2[nH]1.
What is the InChIKey of methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is DGUVQBSVQMBPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-14(18)17-13-15-11-7-6-10(8-12(11)16-13)21(19)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16,17,18).
What are the key properties of methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 307.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 117065290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).