methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate

C14H11N3O3S — CID 4122

IUPACmethyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1
InChIInChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
InChIKeyKYRVNWMVYQXFEU-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.03
Rot. Bonds3

About methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate

methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate (PubChem CID 4122) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
PubChem CID4122
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Namemethyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1
InChIInChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
InChIKeyKYRVNWMVYQXFEU-UHFFFAOYSA-N
XLogP3.03
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate (CID 4122) is methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1.
What is the InChIKey of methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate?
The InChIKey is KYRVNWMVYQXFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19).
What are the key properties of methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate has a molecular weight of 301.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 4122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).