N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide

C18H20N4O2S — CID 18116720

IUPACN-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCn1c(CNC(=O)CCNC(=O)c2ccsc2)nc2ccccc21
InChIInChI=1S/C18H20N4O2S/c1-2-22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)7-9-19-18(24)13-8-10-25-12-13/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,19,24)(H,20,23)
InChIKeyNPRAYDRPMLVUJO-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.55
Rot. Bonds7

About N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 18116720) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID18116720
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCn1c(CNC(=O)CCNC(=O)c2ccsc2)nc2ccccc21
InChIInChI=1S/C18H20N4O2S/c1-2-22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)7-9-19-18(24)13-8-10-25-12-13/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,19,24)(H,20,23)
InChIKeyNPRAYDRPMLVUJO-UHFFFAOYSA-N
XLogP2.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18098065
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-3-carboxamide
CID 53143755
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
(3R)-3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-thiophen-3-ylpropanoic acid
CID 99796637
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 18116720) is N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide is CCn1c(CNC(=O)CCNC(=O)c2ccsc2)nc2ccccc21.
What is the InChIKey of N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is NPRAYDRPMLVUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)7-9-19-18(24)13-8-10-25-12-13/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 18116720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).