5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile

C19H19N3O4S — CID 11625181

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile
SMILESCOc1cc2ncn(-c3cc(OCC4CCCO4)c(C#N)s3)c2cc1OC
InChIInChI=1S/C19H19N3O4S/c1-23-15-6-13-14(7-16(15)24-2)22(11-21-13)19-8-17(18(9-20)27-19)26-10-12-4-3-5-25-12/h6-8,11-12H,3-5,10H2,1-2H3
InChIKeySNDWQKOLRNGWRH-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.53
Rot. Bonds6

About 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile

5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile (PubChem CID 11625181) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile
PubChem CID11625181
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile
SMILESCOc1cc2ncn(-c3cc(OCC4CCCO4)c(C#N)s3)c2cc1OC
InChIInChI=1S/C19H19N3O4S/c1-23-15-6-13-14(7-16(15)24-2)22(11-21-13)19-8-17(18(9-20)27-19)26-10-12-4-3-5-25-12/h6-8,11-12H,3-5,10H2,1-2H3
InChIKeySNDWQKOLRNGWRH-UHFFFAOYSA-N
XLogP3.53
TPSA78.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile (CID 11625181) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile is COc1cc2ncn(-c3cc(OCC4CCCO4)c(C#N)s3)c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile?
The InChIKey is SNDWQKOLRNGWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-23-15-6-13-14(7-16(15)24-2)22(11-21-13)19-8-17(18(9-20)27-19)26-10-12-4-3-5-25-12/h6-8,11-12H,3-5,10H2,1-2H3.
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile has a molecular weight of 385.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile is sourced from PubChem (CID 11625181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).