N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide

C24H20N4O2 — CID 22573945

IUPACN-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1)c1ccco1
InChIInChI=1S/C24H20N4O2/c29-24(22-11-6-12-30-22)28-20(13-17-14-25-19-10-5-4-9-18(17)19)23-26-15-21(27-23)16-7-2-1-3-8-16/h1-12,14-15,20,25H,13H2,(H,26,27)(H,28,29)
InChIKeyVBYRSOFYXZJDHQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.86
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide

N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 22573945) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID22573945
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1)c1ccco1
InChIInChI=1S/C24H20N4O2/c29-24(22-11-6-12-30-22)28-20(13-17-14-25-19-10-5-4-9-18(17)19)23-26-15-21(27-23)16-7-2-1-3-8-16/h1-12,14-15,20,25H,13H2,(H,26,27)(H,28,29)
InChIKeyVBYRSOFYXZJDHQ-UHFFFAOYSA-N
XLogP4.86
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 20756647
CID 161183001
CID 161183001
ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 155266711
N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 53482264
tert-butyl N-[(1R)-2-(5,6-difluoro-1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
CID 59410544
9H-fluoren-9-ylmethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-naphthalen-2-yl-1-oxobutan-2-yl]carbamate
CID 126558984
N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
CID 110286471
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
4-carbamimidoyl-N-[2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 66675175
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 5187549
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6982398
(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate
CID 9292241

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide (CID 22573945) is N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide is O=C(NC(Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1)c1ccco1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is VBYRSOFYXZJDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-24(22-11-6-12-30-22)28-20(13-17-14-25-19-10-5-4-9-18(17)19)23-26-15-21(27-23)16-7-2-1-3-8-16/h1-12,14-15,20,25H,13H2,(H,26,27)(H,28,29).
What are the key properties of N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide?
N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 22573945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).