4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide

C27H27ClN4O2 — CID 53348142

IUPAC4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide
SMILESCCCCOc1ccc(-c2ccc(C(=O)NC(Cn3ccnc3)c3ccc(Cl)cn3)cc2)cc1
InChIInChI=1S/C27H27ClN4O2/c1-2-3-16-34-24-11-8-21(9-12-24)20-4-6-22(7-5-20)27(33)31-26(18-32-15-14-29-19-32)25-13-10-23(28)17-30-25/h4-15,17,19,26H,2-3,16,18H2,1H3,(H,31,33)
InChIKeyLVAOSTBFDVCIOO-UHFFFAOYSA-N
MW474.99 g/mol
LogP5.95
Rot. Bonds10

About 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide

4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide (PubChem CID 53348142) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide
PubChem CID53348142
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC Name4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide
SMILESCCCCOc1ccc(-c2ccc(C(=O)NC(Cn3ccnc3)c3ccc(Cl)cn3)cc2)cc1
InChIInChI=1S/C27H27ClN4O2/c1-2-3-16-34-24-11-8-21(9-12-24)20-4-6-22(7-5-20)27(33)31-26(18-32-15-14-29-19-32)25-13-10-23(28)17-30-25/h4-15,17,19,26H,2-3,16,18H2,1H3,(H,31,33)
InChIKeyLVAOSTBFDVCIOO-UHFFFAOYSA-N
XLogP5.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Gsk-923295a
CID 46898058
Azd8542
CID 53344810
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide
CID 129077995
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
(18F)Pbr 111
CID 24944913
Azole, 11
CID 53348140
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
CID 3728297
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
2-(6-chloro-2-(4-(2-fluoroethoxy)phenyl)imidazo(1,2-a)pyridin-3-yl)-N,N-diethylacetamide
CID 24895169
Pbr-111
CID 24895171
N-[5-(1,5-dimethylimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25181471

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide?
The IUPAC name of 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide (CID 53348142) is 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide.
What is the SMILES notation for 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide?
The canonical SMILES for 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide is CCCCOc1ccc(-c2ccc(C(=O)NC(Cn3ccnc3)c3ccc(Cl)cn3)cc2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide?
The InChIKey is LVAOSTBFDVCIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c1-2-3-16-34-24-11-8-21(9-12-24)20-4-6-22(7-5-20)27(33)31-26(18-32-15-14-29-19-32)25-13-10-23(28)17-30-25/h4-15,17,19,26H,2-3,16,18H2,1H3,(H,31,33).
What are the key properties of 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide?
4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide has a molecular weight of 474.99 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide is sourced from PubChem (CID 53348142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).