4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide

C17H14ClF2N3O — CID 18735298

IUPAC4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
SMILESCNC(=O)N1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F
InChIInChI=1S/C17H14ClF2N3O/c1-21-17(24)23-9-14(10-5-2-3-6-11(10)18)22-16(23)15-12(19)7-4-8-13(15)20/h2-8,14H,9H2,1H3,(H,21,24)
InChIKeyPVEQGYMHUYOBQO-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.76
Rot. Bonds2

About 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide

4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide (PubChem CID 18735298) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
PubChem CID18735298
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
SMILESCNC(=O)N1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F
InChIInChI=1S/C17H14ClF2N3O/c1-21-17(24)23-9-14(10-5-2-3-6-11(10)18)22-16(23)15-12(19)7-4-8-13(15)20/h2-8,14H,9H2,1H3,(H,21,24)
InChIKeyPVEQGYMHUYOBQO-UHFFFAOYSA-N
XLogP3.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-Chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 16290707
1-(2-(2-Chlorophenyl)-2-(dimethylamino)ethyl)-3-(4-fluorobenzyl)urea
CID 45504539
2-(2-chlorophenyl)-N-(4-fluorobenzyl)-1-pyrrolidinecarboxamide
CID 45924496
4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide
CID 56680373
1-[(2-Chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
CID 38148599
4-(2-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide
CID 18735297
4-(2-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile
CID 22612688
5-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1H-imidazole
CID 22612691
N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 25032749
6-[(2-Chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578681
6-[2-(2-Chlorophenyl)ethylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578776
6-[(3-Chloro-4-fluorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578884

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide (CID 18735298) is 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide is CNC(=O)N1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F.
What is the InChIKey of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is PVEQGYMHUYOBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c1-21-17(24)23-9-14(10-5-2-3-6-11(10)18)22-16(23)15-12(19)7-4-8-13(15)20/h2-8,14H,9H2,1H3,(H,21,24).
What are the key properties of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide?
4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 349.77 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 18735298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).