1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea

C14H16Cl2N4O — CID 100763909

IUPAC1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea
SMILESCC(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ncc[nH]1
InChIInChI=1S/C14H16Cl2N4O/c1-8(2)12(13-17-5-6-18-13)20-14(21)19-11-7-9(15)3-4-10(11)16/h3-8,12H,1-2H3,(H,17,18)(H2,19,20,21)/t12-/m0/s1
InChIKeyIVZGRIQJMIMVFX-LBPRGKRZSA-N
MW327.22 g/mol
LogP4.24
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea

1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea (PubChem CID 100763909) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea
PubChem CID100763909
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea
SMILESCC(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ncc[nH]1
InChIInChI=1S/C14H16Cl2N4O/c1-8(2)12(13-17-5-6-18-13)20-14(21)19-11-7-9(15)3-4-10(11)16/h3-8,12H,1-2H3,(H,17,18)(H2,19,20,21)/t12-/m0/s1
InChIKeyIVZGRIQJMIMVFX-LBPRGKRZSA-N
XLogP4.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23802999
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053
1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea
CID 97258252
1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 104620466
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 43554965
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 103916783

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea (CID 100763909) is 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea is CC(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ncc[nH]1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea?
The InChIKey is IVZGRIQJMIMVFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-8(2)12(13-17-5-6-18-13)20-14(21)19-11-7-9(15)3-4-10(11)16/h3-8,12H,1-2H3,(H,17,18)(H2,19,20,21)/t12-/m0/s1.
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea?
1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea has a molecular weight of 327.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea is sourced from PubChem (CID 100763909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).