N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C22H21N3OS — CID 16975581

IUPACN-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCC(c1ccccc1)n1c(CCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C22H21N3OS/c1-16(17-8-3-2-4-9-17)25-19-11-6-5-10-18(19)24-21(25)13-14-23-22(26)20-12-7-15-27-20/h2-12,15-16H,13-14H2,1H3,(H,23,26)
InChIKeyZZBMCSLSFCXDII-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.68
Rot. Bonds6

About N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 16975581) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID16975581
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC NameN-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCC(c1ccccc1)n1c(CCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C22H21N3OS/c1-16(17-8-3-2-4-9-17)25-19-11-6-5-10-18(19)24-21(25)13-14-23-22(26)20-12-7-15-27-20/h2-12,15-16H,13-14H2,1H3,(H,23,26)
InChIKeyZZBMCSLSFCXDII-UHFFFAOYSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982056
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979897
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975607
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982163
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989127

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 16975581) is N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is CC(c1ccccc1)n1c(CCNC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is ZZBMCSLSFCXDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-16(17-8-3-2-4-9-17)25-19-11-6-5-10-18(19)24-21(25)13-14-23-22(26)20-12-7-15-27-20/h2-12,15-16H,13-14H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 16975581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).