4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide

C22H25Cl2N3O — CID 56680373

IUPAC4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide
SMILESCCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N(CC)CC
InChIInChI=1S/C22H25Cl2N3O/c1-4-19-25-20(15-7-11-17(23)12-8-15)21(16-9-13-18(24)14-10-16)27(19)22(28)26(5-2)6-3/h7-14,20-21H,4-6H2,1-3H3
InChIKeyLDXRYBCPRRDKRJ-UHFFFAOYSA-N
MW418.37 g/mol
LogP6.36
Rot. Bonds5

About 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide

4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide (PubChem CID 56680373) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide
PubChem CID56680373
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC Name4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide
SMILESCCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N(CC)CC
InChIInChI=1S/C22H25Cl2N3O/c1-4-19-25-20(15-7-11-17(23)12-8-15)21(16-9-13-18(24)14-10-16)27(19)22(28)26(5-2)6-3/h7-14,20-21H,4-6H2,1-3H3
InChIKeyLDXRYBCPRRDKRJ-UHFFFAOYSA-N
XLogP6.36
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4s,5r)-4,5-Bis(4-Chlorophenyl)-2-Methyl-4,5-Dihydro-1h-Imidazole
CID 71816470
1H-Imidazole, 4,5-dihydro-1-((4-chlorophenyl)methyl)-2-phenyl-, monohydrochloride
CID 3042993
1,5-Bis[(4-chlorophenyl)methyl]-4-methylsulfanyl-6,7-dihydro-1,3,5-triazepin-2-one
CID 10740196
[4,5-Bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 56663351
1,2-Bis[(4-chlorophenyl)methyl]-4,5-dihydroimidazole
CID 76330970
4-(2-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide
CID 18735297
4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
CID 18735298
6-[2-(4-Chlorophenyl)ethylideneamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 68019679
1-[(4-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-one
CID 117839367
1-[(4-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)-2-methyl-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-one
CID 117839563
4,5-Bis(4-chlorobenzylamino)-1-methyl-1h-imidazol-2(5h)-one
CID 156025617
5-amino-4-(4-chloro-3-fluorophenyl)-3-methyl-4H-imidazol-2-one
CID 79959929

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide (CID 56680373) is 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide is CCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N(CC)CC.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is LDXRYBCPRRDKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-4-19-25-20(15-7-11-17(23)12-8-15)21(16-9-13-18(24)14-10-16)27(19)22(28)26(5-2)6-3/h7-14,20-21H,4-6H2,1-3H3.
What are the key properties of 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide?
4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 418.37 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 56680373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).