N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide

C30H27N3OS2 — CID 132574356

IUPACN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide
SMILESCn1c(C(C)(C)NC(=O)c2c(Sc3ccccc3)cccc2Sc2ccccc2)nc2ccccc21
InChIInChI=1S/C30H27N3OS2/c1-30(2,29-31-23-17-10-11-18-24(23)33(29)3)32-28(34)27-25(35-21-13-6-4-7-14-21)19-12-20-26(27)36-22-15-8-5-9-16-22/h4-20H,1-3H3,(H,32,34)
InChIKeyHOZALEBMSGGPIN-UHFFFAOYSA-N
MW509.70 g/mol
LogP7.54
Rot. Bonds7

About N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide

N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide (PubChem CID 132574356) has the molecular formula C30H27N3OS2 and a molecular weight of 509.70 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide
PubChem CID132574356
Molecular FormulaC30H27N3OS2
Molecular Weight509.70 g/mol
Exact Mass509.16
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide
SMILESCn1c(C(C)(C)NC(=O)c2c(Sc3ccccc3)cccc2Sc2ccccc2)nc2ccccc21
InChIInChI=1S/C30H27N3OS2/c1-30(2,29-31-23-17-10-11-18-24(23)33(29)3)32-28(34)27-25(35-21-13-6-4-7-14-21)19-12-20-26(27)36-22-15-8-5-9-16-22/h4-20H,1-3H3,(H,32,34)
InChIKeyHOZALEBMSGGPIN-UHFFFAOYSA-N
XLogP7.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.70
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide
CID 132574362
3-[[2-(1-methylbenzimidazol-2-yl)propan-2-ylamino]methyl]benzoic acid
CID 122032985
N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
CID 154765059
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
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
CID 110469008
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
CID 110469047
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide (CID 132574356) is N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide is Cn1c(C(C)(C)NC(=O)c2c(Sc3ccccc3)cccc2Sc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide?
The InChIKey is HOZALEBMSGGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3OS2/c1-30(2,29-31-23-17-10-11-18-24(23)33(29)3)32-28(34)27-25(35-21-13-6-4-7-14-21)19-12-20-26(27)36-22-15-8-5-9-16-22/h4-20H,1-3H3,(H,32,34).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide?
N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide has a molecular weight of 509.70 g/mol, XLogP of 7.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide is sourced from PubChem (CID 132574356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).