5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C21H21N5O3S — CID 67494571

IUPAC5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(OC)cc4[nH]3)c2)s1
InChIInChI=1S/C21H21N5O3S/c1-28-8-7-23-21(27)18-6-5-17(30-18)12-9-14(19(22)24-11-12)20-25-15-4-3-13(29-2)10-16(15)26-20/h3-6,9-11H,7-8H2,1-2H3,(H2,22,24)(H,23,27)(H,25,26)
InChIKeyHAFQEPZKOJJNPI-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.32
Rot. Bonds7

About 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 67494571) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID67494571
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(OC)cc4[nH]3)c2)s1
InChIInChI=1S/C21H21N5O3S/c1-28-8-7-23-21(27)18-6-5-17(30-18)12-9-14(19(22)24-11-12)20-25-15-4-3-13(29-2)10-16(15)26-20/h3-6,9-11H,7-8H2,1-2H3,(H2,22,24)(H,23,27)(H,25,26)
InChIKeyHAFQEPZKOJJNPI-UHFFFAOYSA-N
XLogP3.32
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-[(5-ethylcyclohepta-1,3,6-trien-1-yl)methyl]thiophene-2-carboxamide
CID 123499791
3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 50924931
3-(6-bromo-1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 44525189
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
3-(6-methoxy-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 65017726
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
N-butyl-6-methoxy-1H-benzimidazole-2-carboxamide
CID 69198696
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
ethyl 4-[4-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597171
N-[2-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 50924934
8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 27375633

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 67494571) is 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCNC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(OC)cc4[nH]3)c2)s1.
What is the InChIKey of 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is HAFQEPZKOJJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-28-8-7-23-21(27)18-6-5-17(30-18)12-9-14(19(22)24-11-12)20-25-15-4-3-13(29-2)10-16(15)26-20/h3-6,9-11H,7-8H2,1-2H3,(H2,22,24)(H,23,27)(H,25,26).
What are the key properties of 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 67494571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).