N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide

C19H17ClN4OS — CID 18663357

IUPACN-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide
SMILESN#Cc1ccc(Cc2ncc(CS(=O)NCc3cccc(Cl)c3)[nH]2)cc1
InChIInChI=1S/C19H17ClN4OS/c20-17-3-1-2-16(8-17)11-23-26(25)13-18-12-22-19(24-18)9-14-4-6-15(10-21)7-5-14/h1-8,12,23H,9,11,13H2,(H,22,24)
InChIKeyCXBVKQWMBVDHEZ-UHFFFAOYSA-N
MW384.89 g/mol
LogP3.48
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide

N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide (PubChem CID 18663357) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide
PubChem CID18663357
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide
SMILESN#Cc1ccc(Cc2ncc(CS(=O)NCc3cccc(Cl)c3)[nH]2)cc1
InChIInChI=1S/C19H17ClN4OS/c20-17-3-1-2-16(8-17)11-23-26(25)13-18-12-22-19(24-18)9-14-4-6-15(10-21)7-5-14/h1-8,12,23H,9,11,13H2,(H,22,24)
InChIKeyCXBVKQWMBVDHEZ-UHFFFAOYSA-N
XLogP3.48
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-[[[1-[(3-chlorophenyl)methyl]-2-oxoazepan-3-yl]amino]methyl]-1H-imidazol-2-yl]methyl]benzonitrile
CID 70163134
4-[(5-ethyl-1H-imidazol-2-yl)methyl]benzonitrile
CID 173306773
3-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 67566320
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-2-yl]-hydroxymethyl]-1H-imidazol-2-yl]methyl]benzonitrile;hydrochloride
CID 70143917
4-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]benzonitrile
CID 43694814
4-[(3-chlorophenyl)methylsulfonylmethyl]benzonitrile
CID 47162176
1-chloro-3-[(sulfinoamino)methyl]benzene
CID 23323237
4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
CID 54358591
4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
CID 70341427
4-[[5-[(2,3-dioxoindol-1-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile;hydrochloride
CID 70179897
2-[5-[(4-cyanophenyl)methyl]-1H-imidazol-2-yl]propanoic acid
CID 70341796

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide (CID 18663357) is N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide is N#Cc1ccc(Cc2ncc(CS(=O)NCc3cccc(Cl)c3)[nH]2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide?
The InChIKey is CXBVKQWMBVDHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c20-17-3-1-2-16(8-17)11-23-26(25)13-18-12-22-19(24-18)9-14-4-6-15(10-21)7-5-14/h1-8,12,23H,9,11,13H2,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide?
N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide has a molecular weight of 384.89 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide is sourced from PubChem (CID 18663357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).