N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide

C17H16N4O — CID 92576982

IUPACN-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
SMILESO=C(NC1CC1)c1ccc(-n2ccnc2)c(-n2cccc2)c1
InChIInChI=1S/C17H16N4O/c22-17(19-14-4-5-14)13-3-6-15(21-10-7-18-12-21)16(11-13)20-8-1-2-9-20/h1-3,6-12,14H,4-5H2,(H,19,22)
InChIKeyCSWXWDUOFQMHHA-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.56
Rot. Bonds4

About N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide

N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide (PubChem CID 92576982) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
PubChem CID92576982
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
SMILESO=C(NC1CC1)c1ccc(-n2ccnc2)c(-n2cccc2)c1
InChIInChI=1S/C17H16N4O/c22-17(19-14-4-5-14)13-3-6-15(21-10-7-18-12-21)16(11-13)20-8-1-2-9-20/h1-3,6-12,14H,4-5H2,(H,19,22)
InChIKeyCSWXWDUOFQMHHA-UHFFFAOYSA-N
XLogP2.56
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide
CID 46954834
3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide
CID 169357814
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-imidazol-1-ylbenzamide
CID 169329064
1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 92576980
N-(1,1-dioxothian-4-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 60512004
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide
CID 39389955
N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 110223551
4-imidazol-1-yl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 119453564
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 126773932
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide
CID 141366489
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide
CID 141366491

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide (CID 92576982) is N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide is O=C(NC1CC1)c1ccc(-n2ccnc2)c(-n2cccc2)c1.
What is the InChIKey of N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide?
The InChIKey is CSWXWDUOFQMHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(19-14-4-5-14)13-3-6-15(21-10-7-18-12-21)16(11-13)20-8-1-2-9-20/h1-3,6-12,14H,4-5H2,(H,19,22).
What are the key properties of N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide?
N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 92576982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).