1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one

C23H29N3O — CID 143435876

IUPAC1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one
SMILESCNCC[C@H](c1ccccc1)n1c2c(n(C3CCCC3)c1=O)CC=CC=C2
InChIInChI=1S/C23H29N3O/c1-24-17-16-20(18-10-4-2-5-11-18)26-22-15-7-3-6-14-21(22)25(23(26)27)19-12-8-9-13-19/h2-7,10-11,15,19-20,24H,8-9,12-14,16-17H2,1H3/t20-/m1/s1
InChIKeyMYKUWGOOFBRFFO-HXUWFJFHSA-N
MW363.50 g/mol
LogP4.09
Rot. Bonds6

About 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one

1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one (PubChem CID 143435876) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one
PubChem CID143435876
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one
SMILESCNCC[C@H](c1ccccc1)n1c2c(n(C3CCCC3)c1=O)CC=CC=C2
InChIInChI=1S/C23H29N3O/c1-24-17-16-20(18-10-4-2-5-11-18)26-22-15-7-3-6-14-21(22)25(23(26)27)19-12-8-9-13-19/h2-7,10-11,15,19-20,24H,8-9,12-14,16-17H2,1H3/t20-/m1/s1
InChIKeyMYKUWGOOFBRFFO-HXUWFJFHSA-N
XLogP4.09
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 174549485
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 58838563
N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
CID 141401683
1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine
CID 141046564
1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride
CID 141046563
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one
CID 21186512
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-phenylethanamine
CID 63150172
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 62435846

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one?
The IUPAC name of 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one (CID 143435876) is 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one?
The canonical SMILES for 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one is CNCC[C@H](c1ccccc1)n1c2c(n(C3CCCC3)c1=O)CC=CC=C2.
What is the InChIKey of 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one?
The InChIKey is MYKUWGOOFBRFFO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O/c1-24-17-16-20(18-10-4-2-5-11-18)26-22-15-7-3-6-14-21(22)25(23(26)27)19-12-8-9-13-19/h2-7,10-11,15,19-20,24H,8-9,12-14,16-17H2,1H3/t20-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one?
1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one has a molecular weight of 363.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1R)-3-(methylamino)-1-phenylpropyl]-8H-cyclohepta[d]imidazol-2-one is sourced from PubChem (CID 143435876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).