4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide

C24H23N5O2S — CID 47020552

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H23N5O2S/c30-23(28-22-10-9-19(15-25-22)29-11-13-31-14-12-29)18-7-5-17(6-8-18)16-32-24-26-20-3-1-2-4-21(20)27-24/h1-10,15H,11-14,16H2,(H,26,27)(H,25,28,30)
InChIKeyNZCUBMUBHIZEFV-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.34
Rot. Bonds6

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide (PubChem CID 47020552) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
PubChem CID47020552
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H23N5O2S/c30-23(28-22-10-9-19(15-25-22)29-11-13-31-14-12-29)18-7-5-17(6-8-18)16-32-24-26-20-3-1-2-4-21(20)27-24/h1-10,15H,11-14,16H2,(H,26,27)(H,25,28,30)
InChIKeyNZCUBMUBHIZEFV-UHFFFAOYSA-N
XLogP4.34
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 46559415
N-[4-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55540208
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30181995
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 78774579
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 2088527
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methylfuran-2-carbohydrazide
CID 29410900
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683302
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 78813369
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-phenoxyethyl)benzamide
CID 27758091
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide (CID 47020552) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cn1)c1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide?
The InChIKey is NZCUBMUBHIZEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-23(28-22-10-9-19(15-25-22)29-11-13-31-14-12-29)18-7-5-17(6-8-18)16-32-24-26-20-3-1-2-4-21(20)27-24/h1-10,15H,11-14,16H2,(H,26,27)(H,25,28,30).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide has a molecular weight of 445.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 47020552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).