(E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide

C18H16ClN3O2 — CID 46629130

IUPAC(E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESCn1ccnc1C(NC(=O)/C=C/c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-22-11-10-20-18(22)17(13-4-6-14(19)7-5-13)21-16(23)9-8-15-3-2-12-24-15/h2-12,17H,1H3,(H,21,23)/b9-8+
InChIKeyMNCGKXWHSDSFNP-CMDGGOBGSA-N
MW341.80 g/mol
LogP3.59
Rot. Bonds5

About (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 46629130) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID46629130
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name(E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESCn1ccnc1C(NC(=O)/C=C/c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-22-11-10-20-18(22)17(13-4-6-14(19)7-5-13)21-16(23)9-8-15-3-2-12-24-15/h2-12,17H,1H3,(H,21,23)/b9-8+
InChIKeyMNCGKXWHSDSFNP-CMDGGOBGSA-N
XLogP3.59
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9247948
(E)-3-(4-bromophenyl)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 43016440
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbut-2-enamide
CID 43048455
(E)-3-(5-bromofuran-2-yl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide
CID 31356955
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24532888
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
(E)-3-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24625709
(E)-3-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24529708
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 46642025
N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31313716

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide (CID 46629130) is (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide is Cn1ccnc1C(NC(=O)/C=C/c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is MNCGKXWHSDSFNP-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-22-11-10-20-18(22)17(13-4-6-14(19)7-5-13)21-16(23)9-8-15-3-2-12-24-15/h2-12,17H,1H3,(H,21,23)/b9-8+.
What are the key properties of (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 341.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 46629130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).