N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine

C24H18Cl2FN5O2 — CID 68868006

IUPACN-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccc(F)cc2)nc1NCC1CC1
InChIInChI=1S/C24H18Cl2FN5O2/c25-16-2-1-3-17(26)20(16)24-30-21(14-6-8-15(27)9-7-14)22(31-24)18-10-11-19(32(33)34)23(29-18)28-12-13-4-5-13/h1-3,6-11,13H,4-5,12H2,(H,28,29)(H,30,31)
InChIKeySQGMRPGIRHHCSX-UHFFFAOYSA-N
MW498.35 g/mol
LogP6.98
Rot. Bonds7

About N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine

N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine (PubChem CID 68868006) has the molecular formula C24H18Cl2FN5O2 and a molecular weight of 498.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine
PubChem CID68868006
Molecular FormulaC24H18Cl2FN5O2
Molecular Weight498.35 g/mol
Exact Mass497.08
IUPAC NameN-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccc(F)cc2)nc1NCC1CC1
InChIInChI=1S/C24H18Cl2FN5O2/c25-16-2-1-3-17(26)20(16)24-30-21(14-6-8-15(27)9-7-14)22(31-24)18-10-11-19(32(33)34)23(29-18)28-12-13-4-5-13/h1-3,6-11,13H,4-5,12H2,(H,28,29)(H,30,31)
InChIKeySQGMRPGIRHHCSX-UHFFFAOYSA-N
XLogP6.98
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.35
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine (CID 68868006) is N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccc(F)cc2)nc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine?
The InChIKey is SQGMRPGIRHHCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN5O2/c25-16-2-1-3-17(26)20(16)24-30-21(14-6-8-15(27)9-7-14)22(31-24)18-10-11-19(32(33)34)23(29-18)28-12-13-4-5-13/h1-3,6-11,13H,4-5,12H2,(H,28,29)(H,30,31).
What are the key properties of N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine?
N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine has a molecular weight of 498.35 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 68868006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).