(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

C29H28N10O4 — CID 98371326

IUPAC(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C[C@]2(C)C(=O)N(Cc3nnnn3-c3ccccc3)C(=O)N2Cc2nnnn2-c2ccccc2)cc1OC
InChIInChI=1S/C29H28N10O4/c1-29(17-20-14-15-23(42-2)24(16-20)43-3)27(40)36(18-25-30-32-34-38(25)21-10-6-4-7-11-21)28(41)37(29)19-26-31-33-35-39(26)22-12-8-5-9-13-22/h4-16H,17-19H2,1-3H3/t29-/m1/s1
InChIKeyVHZKZUZQYNINQR-GDLZYMKVSA-N
MW580.61 g/mol
LogP2.62
Rot. Bonds10

About (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 98371326) has the molecular formula C29H28N10O4 and a molecular weight of 580.61 g/mol. Its IUPAC name is (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID98371326
Molecular FormulaC29H28N10O4
Molecular Weight580.61 g/mol
Exact Mass580.23
IUPAC Name(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C[C@]2(C)C(=O)N(Cc3nnnn3-c3ccccc3)C(=O)N2Cc2nnnn2-c2ccccc2)cc1OC
InChIInChI=1S/C29H28N10O4/c1-29(17-20-14-15-23(42-2)24(16-20)43-3)27(40)36(18-25-30-32-34-38(25)21-10-6-4-7-11-21)28(41)37(29)19-26-31-33-35-39(26)22-12-8-5-9-13-22/h4-16H,17-19H2,1-3H3/t29-/m1/s1
InChIKeyVHZKZUZQYNINQR-GDLZYMKVSA-N
XLogP2.62
TPSA146.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.61
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
CID 41157273
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206363
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088323
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
CID 66527838
N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-phenyltetrazol-5-yl)butanamide
CID 21295539
N-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]-1-phenylethanamine;hydrochloride
CID 17333338
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 17206223
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206350
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine
CID 17206343
4-benzyl-3-[(3,4-dimethoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 54062999
N-[(3,4-dimethoxyphenyl)methyl]-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340397
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17216172

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (CID 98371326) is (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is COc1ccc(C[C@]2(C)C(=O)N(Cc3nnnn3-c3ccccc3)C(=O)N2Cc2nnnn2-c2ccccc2)cc1OC.
What is the InChIKey of (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is VHZKZUZQYNINQR-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H28N10O4/c1-29(17-20-14-15-23(42-2)24(16-20)43-3)27(40)36(18-25-30-32-34-38(25)21-10-6-4-7-11-21)28(41)37(29)19-26-31-33-35-39(26)22-12-8-5-9-13-22/h4-16H,17-19H2,1-3H3/t29-/m1/s1.
What are the key properties of (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 580.61 g/mol, XLogP of 2.62, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 98371326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).