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

C23H29ClN4O2 — CID 10113433

IUPACN-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)C1NC(c2ccncc2)=C(c2ccc(Cl)c(OC)c2)N1
InChIInChI=1S/C23H29ClN4O2/c1-5-6-11-26-22(29)23(2,3)21-27-19(15-9-12-25-13-10-15)20(28-21)16-7-8-17(24)18(14-16)30-4/h7-10,12-14,21,27-28H,5-6,11H2,1-4H3,(H,26,29)
InChIKeyASIMUUWXOLLAFP-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.03
Rot. Bonds8

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

N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide (PubChem CID 10113433) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide
PubChem CID10113433
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)(C)C1NC(c2ccncc2)=C(c2ccc(Cl)c(OC)c2)N1
InChIInChI=1S/C23H29ClN4O2/c1-5-6-11-26-22(29)23(2,3)21-27-19(15-9-12-25-13-10-15)20(28-21)16-7-8-17(24)18(14-16)30-4/h7-10,12-14,21,27-28H,5-6,11H2,1-4H3,(H,26,29)
InChIKeyASIMUUWXOLLAFP-UHFFFAOYSA-N
XLogP4.03
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide
CID 23614991
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1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
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CID 56833592
5-[2-[1-(butylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
CID 154232971
3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102088
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900
3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
CID 56833685
4-(2,6-dimethoxy-4-pentylphenyl)pyridine
CID 178159447

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide (CID 10113433) is N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide is CCCCNC(=O)C(C)(C)C1NC(c2ccncc2)=C(c2ccc(Cl)c(OC)c2)N1.
What is the InChIKey of N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide?
The InChIKey is ASIMUUWXOLLAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-5-6-11-26-22(29)23(2,3)21-27-19(15-9-12-25-13-10-15)20(28-21)16-7-8-17(24)18(14-16)30-4/h7-10,12-14,21,27-28H,5-6,11H2,1-4H3,(H,26,29).
What are the key properties of N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide?
N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide has a molecular weight of 428.96 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(4-chloro-3-methoxyphenyl)-5-pyridin-4-yl-2,3-dihydro-1H-imidazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 10113433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).