N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine

C22H22ClN7 — CID 174524125

IUPACN-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine
SMILESCC(c1cn(-c2cccc(Cl)c2)cn1)N(c1nnc(-c2ccncc2)n1C)C1CC1
InChIInChI=1S/C22H22ClN7/c1-15(20-13-29(14-25-20)19-5-3-4-17(23)12-19)30(18-6-7-18)22-27-26-21(28(22)2)16-8-10-24-11-9-16/h3-5,8-15,18H,6-7H2,1-2H3
InChIKeyBIXVHWGDRZRPFQ-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.45
Rot. Bonds6

About N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine

N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine (PubChem CID 174524125) has the molecular formula C22H22ClN7 and a molecular weight of 419.92 g/mol. Its IUPAC name is N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine
PubChem CID174524125
Molecular FormulaC22H22ClN7
Molecular Weight419.92 g/mol
Exact Mass419.16
IUPAC NameN-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine
SMILESCC(c1cn(-c2cccc(Cl)c2)cn1)N(c1nnc(-c2ccncc2)n1C)C1CC1
InChIInChI=1S/C22H22ClN7/c1-15(20-13-29(14-25-20)19-5-3-4-17(23)12-19)30(18-6-7-18)22-27-26-21(28(22)2)16-8-10-24-11-9-16/h3-5,8-15,18H,6-7H2,1-2H3
InChIKeyBIXVHWGDRZRPFQ-UHFFFAOYSA-N
XLogP4.45
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[1-[1-(3-chlorophenyl)pyrazol-4-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 11349529
methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate
CID 174524375
3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1H-imidazol-2-one
CID 142748935
4-(3-chlorophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 738544
7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
CID 142648095
4-[5-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]pyridine;[2-(3-chlorophenyl)tetrazol-5-yl]methyl-triphenylphosphanium
CID 87888129
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
4-(bromomethyl)-1-(3-chlorophenyl)imidazole
CID 130482648
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 108989247
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione
CID 27366614
2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole
CID 143797429
4-[4-(3-chlorophenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 1374593

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine (CID 174524125) is N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine is CC(c1cn(-c2cccc(Cl)c2)cn1)N(c1nnc(-c2ccncc2)n1C)C1CC1.
What is the InChIKey of N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is BIXVHWGDRZRPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7/c1-15(20-13-29(14-25-20)19-5-3-4-17(23)12-19)30(18-6-7-18)22-27-26-21(28(22)2)16-8-10-24-11-9-16/h3-5,8-15,18H,6-7H2,1-2H3.
What are the key properties of N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine?
N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 419.92 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 174524125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).