N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide

C27H30N4O3 — CID 90309581

IUPACN-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2(C(=O)N[C@@H]3CCc4ccccc4-n4ccnc43)CCCC2)cc1
InChIInChI=1S/C27H30N4O3/c1-2-34-21-12-9-20(10-13-21)25(32)30-27(15-5-6-16-27)26(33)29-22-14-11-19-7-3-4-8-23(19)31-18-17-28-24(22)31/h3-4,7-10,12-13,17-18,22H,2,5-6,11,14-16H2,1H3,(H,29,33)(H,30,32)/t22-/m1/s1
InChIKeyGCWJRYSXNOXVSX-JOCHJYFZSA-N
MW458.56 g/mol
LogP4.12
Rot. Bonds6

About N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide

N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide (PubChem CID 90309581) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide
PubChem CID90309581
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2(C(=O)N[C@@H]3CCc4ccccc4-n4ccnc43)CCCC2)cc1
InChIInChI=1S/C27H30N4O3/c1-2-34-21-12-9-20(10-13-21)25(32)30-27(15-5-6-16-27)26(33)29-22-14-11-19-7-3-4-8-23(19)31-18-17-28-24(22)31/h3-4,7-10,12-13,17-18,22H,2,5-6,11,14-16H2,1H3,(H,29,33)(H,30,32)/t22-/m1/s1
InChIKeyGCWJRYSXNOXVSX-JOCHJYFZSA-N
XLogP4.12
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide (CID 90309581) is N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2(C(=O)N[C@@H]3CCc4ccccc4-n4ccnc43)CCCC2)cc1.
What is the InChIKey of N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide?
The InChIKey is GCWJRYSXNOXVSX-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-2-34-21-12-9-20(10-13-21)25(32)30-27(15-5-6-16-27)26(33)29-22-14-11-19-7-3-4-8-23(19)31-18-17-28-24(22)31/h3-4,7-10,12-13,17-18,22H,2,5-6,11,14-16H2,1H3,(H,29,33)(H,30,32)/t22-/m1/s1.
What are the key properties of N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide?
N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide has a molecular weight of 458.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4R)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]carbamoyl]cyclopentyl]-4-ethoxybenzamide is sourced from PubChem (CID 90309581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).