N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide

C22H25ClN4O2 — CID 23614991

IUPACN-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C22H25ClN4O2/c1-4-5-10-25-21(29)22(2,3)20-26-18(14-8-11-24-12-9-14)19(27-20)15-6-7-16(23)17(28)13-15/h6-9,11-13,28H,4-5,10H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyCRYPKLRJMKVZQE-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.69
Rot. Bonds7

About N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide

N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide (PubChem CID 23614991) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide
PubChem CID23614991
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC NameN-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C22H25ClN4O2/c1-4-5-10-25-21(29)22(2,3)20-26-18(14-8-11-24-12-9-14)19(27-20)15-6-7-16(23)17(28)13-15/h6-9,11-13,28H,4-5,10H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyCRYPKLRJMKVZQE-UHFFFAOYSA-N
XLogP4.69
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.69
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
N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide
CID 10113433
2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
CID 22185416
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 44535696
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide
CID 44535710
2-chloro-5-[2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
CID 44535397
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
CID 44533820
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 44535692
[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 18440792
N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 44535248
5-[5-(2-aminopyrimidin-4-yl)-2-[1-[(3,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]-1H-imidazol-4-yl]-2-chlorophenol
CID 22185451
3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide
CID 18440778

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide (CID 23614991) is N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide is CCCCNC(=O)C(C)(C)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide?
The InChIKey is CRYPKLRJMKVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-4-5-10-25-21(29)22(2,3)20-26-18(14-8-11-24-12-9-14)19(27-20)15-6-7-16(23)17(28)13-15/h6-9,11-13,28H,4-5,10H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide?
N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide has a molecular weight of 412.92 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 23614991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).