N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide

C16H17N3OS — CID 4284206

IUPACN-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCCCn1c(CNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C16H17N3OS/c1-2-9-19-13-7-4-3-6-12(13)18-15(19)11-17-16(20)14-8-5-10-21-14/h3-8,10H,2,9,11H2,1H3,(H,17,20)
InChIKeyALEOXKUWSASOMM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.44
Rot. Bonds5

About N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide

N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 4284206) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID4284206
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCCCn1c(CNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C16H17N3OS/c1-2-9-19-13-7-4-3-6-12(13)18-15(19)11-17-16(20)14-8-5-10-21-14/h3-8,10H,2,9,11H2,1H3,(H,17,20)
InChIKeyALEOXKUWSASOMM-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 4284206) is N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide is CCCn1c(CNC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ALEOXKUWSASOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-9-19-13-7-4-3-6-12(13)18-15(19)11-17-16(20)14-8-5-10-21-14/h3-8,10H,2,9,11H2,1H3,(H,17,20).
What are the key properties of N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 4284206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).