benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one

C38H46N6O4 — CID 143725198

IUPACbenzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one
SMILESCc1c(C(=O)N2CCNCC2)n(Cc2cccc(C(=O)N3CCCCC3)c2)c(=O)n1-c1cccc(N2CCOCC2)c1.c1ccccc1
InChIInChI=1S/C32H40N6O4.C6H6/c1-24-29(31(40)36-15-11-33-12-16-36)37(23-25-7-5-8-26(21-25)30(39)35-13-3-2-4-14-35)32(41)38(24)28-10-6-9-27(22-28)34-17-19-42-20-18-34;1-2-4-6-5-3-1/h5-10,21-22,33H,2-4,11-20,23H2,1H3;1-6H
InChIKeyDTCVUEQSTLPXGY-UHFFFAOYSA-N
MW650.82 g/mol
LogP4.19
Rot. Bonds6

About benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one

benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one (PubChem CID 143725198) has the molecular formula C38H46N6O4 and a molecular weight of 650.82 g/mol. Its IUPAC name is benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Namebenzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one
PubChem CID143725198
Molecular FormulaC38H46N6O4
Molecular Weight650.82 g/mol
Exact Mass650.36
IUPAC Namebenzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one
SMILESCc1c(C(=O)N2CCNCC2)n(Cc2cccc(C(=O)N3CCCCC3)c2)c(=O)n1-c1cccc(N2CCOCC2)c1.c1ccccc1
InChIInChI=1S/C32H40N6O4.C6H6/c1-24-29(31(40)36-15-11-33-12-16-36)37(23-25-7-5-8-26(21-25)30(39)35-13-3-2-4-14-35)32(41)38(24)28-10-6-9-27(22-28)34-17-19-42-20-18-34;1-2-4-6-5-3-1/h5-10,21-22,33H,2-4,11-20,23H2,1H3;1-6H
InChIKeyDTCVUEQSTLPXGY-UHFFFAOYSA-N
XLogP4.19
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
CID 28748938
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527766
2,5-dimethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrole-3-carboxylic acid
CID 118871352
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292634
3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid
CID 72939313
4-methoxy-N-[3-[3-(3-morpholin-4-ylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 59292715
1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292750
1,4-diazepan-1-yl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119416822
3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one
CID 39161903

Frequently Asked Questions

What is the IUPAC name of benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one?
The IUPAC name of benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one (CID 143725198) is benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one.
What is the SMILES notation for benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one?
The canonical SMILES for benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one is Cc1c(C(=O)N2CCNCC2)n(Cc2cccc(C(=O)N3CCCCC3)c2)c(=O)n1-c1cccc(N2CCOCC2)c1.c1ccccc1.
What is the InChIKey of benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one?
The InChIKey is DTCVUEQSTLPXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O4.C6H6/c1-24-29(31(40)36-15-11-33-12-16-36)37(23-25-7-5-8-26(21-25)30(39)35-13-3-2-4-14-35)32(41)38(24)28-10-6-9-27(22-28)34-17-19-42-20-18-34;1-2-4-6-5-3-1/h5-10,21-22,33H,2-4,11-20,23H2,1H3;1-6H.
What are the key properties of benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one?
benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one has a molecular weight of 650.82 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 143725198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).