5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide

C20H18Cl2N4O2 — CID 44530428

IUPAC5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide
SMILESCn1ccnc1CCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N4O2/c1-26-11-10-23-18(26)8-9-19(27)25-17-7-4-14(22)12-16(17)20(28)24-15-5-2-13(21)3-6-15/h2-7,10-12H,8-9H2,1H3,(H,24,28)(H,25,27)
InChIKeyPCNFHKRKZOXWCV-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.55
Rot. Bonds6

About 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide

5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide (PubChem CID 44530428) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide
PubChem CID44530428
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide
SMILESCn1ccnc1CCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N4O2/c1-26-11-10-23-18(26)8-9-19(27)25-17-7-4-14(22)12-16(17)20(28)24-15-5-2-13(21)3-6-15/h2-7,10-12H,8-9H2,1H3,(H,24,28)(H,25,27)
InChIKeyPCNFHKRKZOXWCV-UHFFFAOYSA-N
XLogP4.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-imidazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376618
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-(1H-imidazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376827
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)thiophene-2-carboxamide
CID 18376921
{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-phenylcarbamoyl]-benzyl}-trimethyl-ammonium
CID 9959749
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)benzamide
CID 10297977
5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[methyl-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-amino]-methyl}-benzoylamino)-benzamide
CID 18727836
5-chloro-N-(5-chloropyridin-2-yl)-3-(dimethylamino)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)benzamide
CID 18727867
8-Chloro-3-diethylaminomethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10449469
8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
CID 156596362
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-((2-iminoimidazolidin-1-yl)methyl)benzamido)benzamide
CID 44385679
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[(N,N'-dimethylcarbamimidoyl)-methylamino]methyl]benzoyl]amino]benzamide
CID 44385842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide (CID 44530428) is 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide is Cn1ccnc1CCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide?
The InChIKey is PCNFHKRKZOXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-26-11-10-23-18(26)8-9-19(27)25-17-7-4-14(22)12-16(17)20(28)24-15-5-2-13(21)3-6-15/h2-7,10-12H,8-9H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide?
5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide has a molecular weight of 417.30 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 44530428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).