N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide

C27H33N5O4 — CID 11431838

IUPACN-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCC(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccco1)n2CCCN1CCNC1=O
InChIInChI=1S/C27H33N5O4/c1-18(24(33)19-7-3-2-4-8-19)20-10-11-22-21(17-20)29-26(30-25(34)23-9-5-16-36-23)32(22)14-6-13-31-15-12-28-27(31)35/h5,9-11,16-19H,2-4,6-8,12-15H2,1H3,(H,28,35)(H,29,30,34)
InChIKeyVSRPKXIDMOZEMD-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.55
Rot. Bonds9

About N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide

N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 11431838) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide
PubChem CID11431838
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCC(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccco1)n2CCCN1CCNC1=O
InChIInChI=1S/C27H33N5O4/c1-18(24(33)19-7-3-2-4-8-19)20-10-11-22-21(17-20)29-26(30-25(34)23-9-5-16-36-23)32(22)14-6-13-31-15-12-28-27(31)35/h5,9-11,16-19H,2-4,6-8,12-15H2,1H3,(H,28,35)(H,29,30,34)
InChIKeyVSRPKXIDMOZEMD-UHFFFAOYSA-N
XLogP4.55
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 11398386
N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 11452234
N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-methyl-7H-cyclohepta[d]imidazol-2-yl]furan-2-carboxamide
CID 143082216
N-[1-(3-amino-3-oxopropyl)-5-[1-(oxan-4-yl)-1-oxopropan-2-yl]benzimidazol-2-yl]-4-cyanobenzamide
CID 11190668
N-[3-(3-methoxypropyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]furan-2-carboxamide
CID 59742882
N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide
CID 58742879
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 44588719
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]cyclohexanecarboxamide
CID 58742554
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(hydroxymethyl)benzamide
CID 58742704
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide
CID 58742675
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]benzamide
CID 126688276

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide (CID 11431838) is N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide is CC(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccco1)n2CCCN1CCNC1=O.
What is the InChIKey of N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide?
The InChIKey is VSRPKXIDMOZEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-18(24(33)19-7-3-2-4-8-19)20-10-11-22-21(17-20)29-26(30-25(34)23-9-5-16-36-23)32(22)14-6-13-31-15-12-28-27(31)35/h5,9-11,16-19H,2-4,6-8,12-15H2,1H3,(H,28,35)(H,29,30,34).
What are the key properties of N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide?
N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11431838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).