1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea

C24H23N5O2 — CID 112835925

IUPAC1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccnc2-n2ccnc2)cc1Cc1ccccc1
InChIInChI=1S/C24H23N5O2/c1-31-22-10-9-21(15-20(22)14-18-6-3-2-4-7-18)28-24(30)27-16-19-8-5-11-26-23(19)29-13-12-25-17-29/h2-13,15,17H,14,16H2,1H3,(H2,27,28,30)
InChIKeyXIIKZTIKUSWKRW-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.19
Rot. Bonds7

About 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea

1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 112835925) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID112835925
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccnc2-n2ccnc2)cc1Cc1ccccc1
InChIInChI=1S/C24H23N5O2/c1-31-22-10-9-21(15-20(22)14-18-6-3-2-4-7-18)28-24(30)27-16-19-8-5-11-26-23(19)29-13-12-25-17-29/h2-13,15,17H,14,16H2,1H3,(H2,27,28,30)
InChIKeyXIIKZTIKUSWKRW-UHFFFAOYSA-N
XLogP4.19
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667
1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 55793735
N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 154796474
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 112835929
1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110891041
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 55799910
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
1-[(2,5-dimethoxyphenyl)methyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55747504
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
1-benzyl-3-(3-benzyl-4-methoxyphenyl)thiourea
CID 154799805
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea (CID 112835925) is 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea is COc1ccc(NC(=O)NCc2cccnc2-n2ccnc2)cc1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is XIIKZTIKUSWKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-22-10-9-21(15-20(22)14-18-6-3-2-4-7-18)28-24(30)27-16-19-8-5-11-26-23(19)29-13-12-25-17-29/h2-13,15,17H,14,16H2,1H3,(H2,27,28,30).
What are the key properties of 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea?
1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 413.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 112835925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).