N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C19H22N4OS — CID 71940919

IUPACN-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C19H22N4OS/c1-14-15-8-12-25-18(15)7-11-23(14)19(24)20-9-4-10-22-13-21-16-5-2-3-6-17(16)22/h2-3,5-6,8,12-14H,4,7,9-11H2,1H3,(H,20,24)
InChIKeyJIAKWXNBFQHEIH-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.82
Rot. Bonds4

About N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 71940919) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID71940919
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C19H22N4OS/c1-14-15-8-12-25-18(15)7-11-23(14)19(24)20-9-4-10-22-13-21-16-5-2-3-6-17(16)22/h2-3,5-6,8,12-14H,4,7,9-11H2,1H3,(H,20,24)
InChIKeyJIAKWXNBFQHEIH-UHFFFAOYSA-N
XLogP3.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-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

(4R)-4-methyl-N-(4-methylpentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 97024976
3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
CID 51280886
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53498622
N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55010144
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
(3R)-N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 100816417
N-[3-(benzimidazol-1-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211637
2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
CID 95158429
2-[(2R)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
CID 95158428
N-[3-(benzimidazol-1-yl)propyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 55457370
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 71940919) is N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC1c2ccsc2CCN1C(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is JIAKWXNBFQHEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-15-8-12-25-18(15)7-11-23(14)19(24)20-9-4-10-22-13-21-16-5-2-3-6-17(16)22/h2-3,5-6,8,12-14H,4,7,9-11H2,1H3,(H,20,24).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 71940919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).