2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol

C23H29ClN4O — CID 91606363

IUPAC2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol
SMILESCCCCCNCC(C)(C)c1cc(-c2ncc(-c3ccc(Cl)c(O)c3)[nH]2)ccn1
InChIInChI=1S/C23H29ClN4O/c1-4-5-6-10-25-15-23(2,3)21-13-17(9-11-26-21)22-27-14-19(28-22)16-7-8-18(24)20(29)12-16/h7-9,11-14,25,29H,4-6,10,15H2,1-3H3,(H,27,28)
InChIKeyWMNYPFHYFSINRU-UHFFFAOYSA-N
MW412.97 g/mol
LogP5.56
Rot. Bonds9

About 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol

2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol (PubChem CID 91606363) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol
PubChem CID91606363
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol
SMILESCCCCCNCC(C)(C)c1cc(-c2ncc(-c3ccc(Cl)c(O)c3)[nH]2)ccn1
InChIInChI=1S/C23H29ClN4O/c1-4-5-6-10-25-15-23(2,3)21-13-17(9-11-26-21)22-27-14-19(28-22)16-7-8-18(24)20(29)12-16/h7-9,11-14,25,29H,4-6,10,15H2,1-3H3,(H,27,28)
InChIKeyWMNYPFHYFSINRU-UHFFFAOYSA-N
XLogP5.56
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.97
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[1-(butylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
CID 154232971
4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
CID 162063457
4-[2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine;hydrobromide
CID 44529202
4-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-2-amine
CID 102970517
5-[5-(2-aminopyrimidin-4-yl)-2-[1-[2-(4-chlorophenoxy)ethylamino]-2-methylpropan-2-yl]-1H-imidazol-4-yl]-2-chlorophenol;hydrochloride
CID 44535728
N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide
CID 23614991
(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214436
methyl N-[7-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]heptyl]carbamate
CID 145165878
N-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686
N-(2-methyl-2-phenylpropyl)hexan-1-amine
CID 63451792
2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol
CID 53475690
[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70194628

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol?
The IUPAC name of 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol (CID 91606363) is 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol?
The canonical SMILES for 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol is CCCCCNCC(C)(C)c1cc(-c2ncc(-c3ccc(Cl)c(O)c3)[nH]2)ccn1.
What is the InChIKey of 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol?
The InChIKey is WMNYPFHYFSINRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O/c1-4-5-6-10-25-15-23(2,3)21-13-17(9-11-26-21)22-27-14-19(28-22)16-7-8-18(24)20(29)12-16/h7-9,11-14,25,29H,4-6,10,15H2,1-3H3,(H,27,28).
What are the key properties of 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol?
2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol has a molecular weight of 412.97 g/mol, XLogP of 5.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[2-[2-methyl-1-(pentylamino)propan-2-yl]-4-pyridinyl]-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 91606363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).