N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C19H22N4O2S — CID 50751833

IUPACN-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2C
InChIInChI=1S/C19H22N4O2S/c1-12(2)18(24)21-13-6-7-15-14(11-13)22-17(23(15)3)8-9-20-19(25)16-5-4-10-26-16/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyFZJQCTIALAYOMI-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.20
Rot. Bonds6

About N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 50751833) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID50751833
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2C
InChIInChI=1S/C19H22N4O2S/c1-12(2)18(24)21-13-6-7-15-14(11-13)22-17(23(15)3)8-9-20-19(25)16-5-4-10-26-16/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyFZJQCTIALAYOMI-UHFFFAOYSA-N
XLogP3.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751908
N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751969
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
CID 46270387
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975581
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 50751833) is N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is CC(C)C(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2C.
What is the InChIKey of N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is FZJQCTIALAYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(2)18(24)21-13-6-7-15-14(11-13)22-17(23(15)3)8-9-20-19(25)16-5-4-10-26-16/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 50751833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).