N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide

C23H25N3OS — CID 132574362

IUPACN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide
SMILESCn1c(C(C)(C)NC(=O)C2=C(Sc3ccccc3)CCC2)nc2ccccc21
InChIInChI=1S/C23H25N3OS/c1-23(2,22-24-18-13-7-8-14-19(18)26(22)3)25-21(27)17-12-9-15-20(17)28-16-10-5-4-6-11-16/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,25,27)
InChIKeyJAWYOFFOGCWPLM-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.15
Rot. Bonds5

About N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide

N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide (PubChem CID 132574362) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide
PubChem CID132574362
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide
SMILESCn1c(C(C)(C)NC(=O)C2=C(Sc3ccccc3)CCC2)nc2ccccc21
InChIInChI=1S/C23H25N3OS/c1-23(2,22-24-18-13-7-8-14-19(18)26(22)3)25-21(27)17-12-9-15-20(17)28-16-10-5-4-6-11-16/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,25,27)
InChIKeyJAWYOFFOGCWPLM-UHFFFAOYSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide
CID 132574356
N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
CID 154765059
3-[[2-(1-methylbenzimidazol-2-yl)propan-2-ylamino]methyl]benzoic acid
CID 122032985
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-methylbenzimidazole
CID 161325644
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide (CID 132574362) is N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide is Cn1c(C(C)(C)NC(=O)C2=C(Sc3ccccc3)CCC2)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide?
The InChIKey is JAWYOFFOGCWPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-23(2,22-24-18-13-7-8-14-19(18)26(22)3)25-21(27)17-12-9-15-20(17)28-16-10-5-4-6-11-16/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide?
N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide is sourced from PubChem (CID 132574362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).