N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

C19H20N4OS — CID 53191449

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)n1cc2cc(C(=O)NCc3nc4ccccc4n3C)sc2c1
InChIInChI=1S/C19H20N4OS/c1-12(2)23-10-13-8-16(25-17(13)11-23)19(24)20-9-18-21-14-6-4-5-7-15(14)22(18)3/h4-8,10-12H,9H2,1-3H3,(H,20,24)
InChIKeyLQYROEBTDAJUEQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.10
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53191449) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53191449
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)n1cc2cc(C(=O)NCc3nc4ccccc4n3C)sc2c1
InChIInChI=1S/C19H20N4OS/c1-12(2)23-10-13-8-16(25-17(13)11-23)19(24)20-9-18-21-14-6-4-5-7-15(14)22(18)3/h4-8,10-12H,9H2,1-3H3,(H,20,24)
InChIKeyLQYROEBTDAJUEQ-UHFFFAOYSA-N
XLogP4.10
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-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

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (CID 53191449) is N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is CC(C)n1cc2cc(C(=O)NCc3nc4ccccc4n3C)sc2c1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is LQYROEBTDAJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12(2)23-10-13-8-16(25-17(13)11-23)19(24)20-9-18-21-14-6-4-5-7-15(14)22(18)3/h4-8,10-12H,9H2,1-3H3,(H,20,24).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53191449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).