3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide

C27H33N5O3 — CID 155586831

IUPAC3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide
SMILESO=C(NCCC1CCOCC1)c1cccc(Nc2ccc(C(=O)NC3=NCCN3)cc2C2CC2)c1
InChIInChI=1S/C27H33N5O3/c33-25(28-11-8-18-9-14-35-15-10-18)20-2-1-3-22(16-20)31-24-7-6-21(17-23(24)19-4-5-19)26(34)32-27-29-12-13-30-27/h1-3,6-7,16-19,31H,4-5,8-15H2,(H,28,33)(H2,29,30,32,34)
InChIKeyOLHYIBFVCIWTFJ-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.54
Rot. Bonds8

About 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide

3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide (PubChem CID 155586831) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide
PubChem CID155586831
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide
SMILESO=C(NCCC1CCOCC1)c1cccc(Nc2ccc(C(=O)NC3=NCCN3)cc2C2CC2)c1
InChIInChI=1S/C27H33N5O3/c33-25(28-11-8-18-9-14-35-15-10-18)20-2-1-3-22(16-20)31-24-7-6-21(17-23(24)19-4-5-19)26(34)32-27-29-12-13-30-27/h1-3,6-7,16-19,31H,4-5,8-15H2,(H,28,33)(H2,29,30,32,34)
InChIKeyOLHYIBFVCIWTFJ-UHFFFAOYSA-N
XLogP3.54
TPSA103.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-4-[3-[(1-methylcyclopropyl)carbamoyl]anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295630
3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295658
3-cyclopropyl-4-[3-(6-methylheptanoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 167622489
3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
CID 167684512
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 156755797
3-cyclopropyl-N-pyrimidin-2-yl-4-[3-(2,2,2-trifluoroethylcarbamoyl)anilino]benzamide
CID 175154520
4-[3-[2-(3-cyclohexylpropyl)tetrazol-5-yl]anilino]-3-cyclopropyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295671
3-cyclopropyl-4-[4-methyl-3-(4-methylpentanoylamino)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146300556
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
CID 146295815
2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid
CID 21306708
4-[3-(3-cyclohexylpropanoylamino)anilino]-3-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295606

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide?
The IUPAC name of 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide (CID 155586831) is 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide.
What is the SMILES notation for 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide?
The canonical SMILES for 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide is O=C(NCCC1CCOCC1)c1cccc(Nc2ccc(C(=O)NC3=NCCN3)cc2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide?
The InChIKey is OLHYIBFVCIWTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c33-25(28-11-8-18-9-14-35-15-10-18)20-2-1-3-22(16-20)31-24-7-6-21(17-23(24)19-4-5-19)26(34)32-27-29-12-13-30-27/h1-3,6-7,16-19,31H,4-5,8-15H2,(H,28,33)(H2,29,30,32,34).
What are the key properties of 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide?
3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide is sourced from PubChem (CID 155586831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).