4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide

C14H11Cl2N3O2S — CID 137453489

IUPAC4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCn1cnc2ccc(O)c(CNC(=O)c3cc(Cl)c(Cl)s3)c21
InChIInChI=1S/C14H11Cl2N3O2S/c1-19-6-18-9-2-3-10(20)7(12(9)19)5-17-14(21)11-4-8(15)13(16)22-11/h2-4,6,20H,5H2,1H3,(H,17,21)
InChIKeyVRRQNOAAJOSPTK-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.58
Rot. Bonds3

About 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide

4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 137453489) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID137453489
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC Name4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCn1cnc2ccc(O)c(CNC(=O)c3cc(Cl)c(Cl)s3)c21
InChIInChI=1S/C14H11Cl2N3O2S/c1-19-6-18-9-2-3-10(20)7(12(9)19)5-17-14(21)11-4-8(15)13(16)22-11/h2-4,6,20H,5H2,1H3,(H,17,21)
InChIKeyVRRQNOAAJOSPTK-UHFFFAOYSA-N
XLogP3.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide
CID 137453703
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
CID 137453507
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
CID 137453588
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide
CID 137453812
4,5-dichloro-N-pentylthiophene-2-carboxamide
CID 110190675
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide (CID 137453489) is 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide is Cn1cnc2ccc(O)c(CNC(=O)c3cc(Cl)c(Cl)s3)c21.
What is the InChIKey of 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is VRRQNOAAJOSPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/c1-19-6-18-9-2-3-10(20)7(12(9)19)5-17-14(21)11-4-8(15)13(16)22-11/h2-4,6,20H,5H2,1H3,(H,17,21).
What are the key properties of 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide?
4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 356.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 137453489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).