2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide

C24H18N4OS — CID 60555097

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C24H18N4OS/c29-23(26-18-11-12-20-16(14-18)7-5-13-25-20)19-8-2-1-6-17(19)15-30-24-27-21-9-3-4-10-22(21)28-24/h1-14H,15H2,(H,26,29)(H,27,28)
InChIKeyNPTKRHUULNWFHB-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.66
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide (PubChem CID 60555097) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
PubChem CID60555097
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C24H18N4OS/c29-23(26-18-11-12-20-16(14-18)7-5-13-25-20)19-8-2-1-6-17(19)15-30-24-27-21-9-3-4-10-22(21)28-24/h1-14H,15H2,(H,26,29)(H,27,28)
InChIKeyNPTKRHUULNWFHB-UHFFFAOYSA-N
XLogP5.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
CID 55539810
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
CID 60613377
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-hydroxypropyl)benzamide
CID 78796351
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 55990243
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 55470670
N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 119641397
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 51144196
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-dipropylbenzamide
CID 60520349
N-quinolin-6-ylbenzamide
CID 833617

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide (CID 60555097) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide is O=C(Nc1ccc2ncccc2c1)c1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide?
The InChIKey is NPTKRHUULNWFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c29-23(26-18-11-12-20-16(14-18)7-5-13-25-20)19-8-2-1-6-17(19)15-30-24-27-21-9-3-4-10-22(21)28-24/h1-14H,15H2,(H,26,29)(H,27,28).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide has a molecular weight of 410.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 60555097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).