(E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide

C23H20FN3O2 — CID 7008990

IUPAC(E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C23H20FN3O2/c1-16(25-22(28)13-12-18-8-6-14-29-18)23-26-20-10-4-5-11-21(20)27(23)15-17-7-2-3-9-19(17)24/h2-14,16H,15H2,1H3,(H,25,28)/b13-12+/t16-/m1/s1
InChIKeySCHCVAYLURUHGR-CJTWTEFWSA-N
MW389.43 g/mol
LogP4.71
Rot. Bonds6

About (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 7008990) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID7008990
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name(E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C23H20FN3O2/c1-16(25-22(28)13-12-18-8-6-14-29-18)23-26-20-10-4-5-11-21(20)27(23)15-17-7-2-3-9-19(17)24/h2-14,16H,15H2,1H3,(H,25,28)/b13-12+/t16-/m1/s1
InChIKeySCHCVAYLURUHGR-CJTWTEFWSA-N
XLogP4.71
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.71
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

(Z)-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970291
(E)-N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 40785211
N-[(1S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 7007875
N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967488
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009330
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
(Z)-N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970293
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969979
(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 16970269

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide (CID 7008990) is (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide is C[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is SCHCVAYLURUHGR-CJTWTEFWSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-16(25-22(28)13-12-18-8-6-14-29-18)23-26-20-10-4-5-11-21(20)27(23)15-17-7-2-3-9-19(17)24/h2-14,16H,15H2,1H3,(H,25,28)/b13-12+/t16-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 389.43 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 7008990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).