4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide

C22H22ClN3O2 — CID 42819277

IUPAC4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1nccn1Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O2/c1-3-13-26(22(27)18-6-8-19(23)9-7-18)16-21-24-12-14-25(21)15-17-4-10-20(28-2)11-5-17/h3-12,14H,1,13,15-16H2,2H3
InChIKeyBXICWCIANSOXRP-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.42
Rot. Bonds8

About 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide

4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide (PubChem CID 42819277) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
PubChem CID42819277
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1nccn1Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O2/c1-3-13-26(22(27)18-6-8-19(23)9-7-18)16-21-24-12-14-25(21)15-17-4-10-20(28-2)11-5-17/h3-12,14H,1,13,15-16H2,2H3
InChIKeyBXICWCIANSOXRP-UHFFFAOYSA-N
XLogP4.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 42819222
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
CID 42819878
N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344
3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
CID 42819635
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 3960891
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55918590
4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide
CID 143696048
5-bromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 55918848
N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
4-bromo-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 3566076
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide (CID 42819277) is 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1nccn1Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide?
The InChIKey is BXICWCIANSOXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-3-13-26(22(27)18-6-8-19(23)9-7-18)16-21-24-12-14-25(21)15-17-4-10-20(28-2)11-5-17/h3-12,14H,1,13,15-16H2,2H3.
What are the key properties of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide?
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide has a molecular weight of 395.89 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 42819277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).