N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide

C21H23N5OS — CID 29079928

IUPACN-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C21H23N5OS/c1-3-4-10-26-18-8-7-16(23-21(27)19-6-5-12-28-19)13-17(18)24-20(26)14-25-11-9-22-15(25)2/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,27)
InChIKeyMUYLJNDJOOYBNQ-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.70
Rot. Bonds7

About N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide

N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 29079928) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID29079928
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C21H23N5OS/c1-3-4-10-26-18-8-7-16(23-21(27)19-6-5-12-28-19)13-17(18)24-20(26)14-25-11-9-22-15(25)2/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,27)
InChIKeyMUYLJNDJOOYBNQ-UHFFFAOYSA-N
XLogP4.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide
CID 46263421
N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]-2-nitrobenzamide
CID 46263429
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 17236134
N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 46263459
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828717
N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83281798
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide
CID 35176965
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide (CID 29079928) is N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide is CCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is MUYLJNDJOOYBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-3-4-10-26-18-8-7-16(23-21(27)19-6-5-12-28-19)13-17(18)24-20(26)14-25-11-9-22-15(25)2/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,27).
What are the key properties of N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide?
N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 29079928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).