1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

C22H22N6O2 — CID 56553525

IUPAC1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C22H22N6O2/c1-16-12-25-22(30)28(16)20-9-5-4-8-19(20)26-21(29)24-13-17-6-2-3-7-18(17)14-27-11-10-23-15-27/h2-12,15H,13-14H2,1H3,(H,25,30)(H2,24,26,29)
InChIKeyZFCDYNMONOVZNW-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.04
Rot. Bonds6

About 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (PubChem CID 56553525) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
PubChem CID56553525
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C22H22N6O2/c1-16-12-25-22(30)28(16)20-9-5-4-8-19(20)26-21(29)24-13-17-6-2-3-7-18(17)14-27-11-10-23-15-27/h2-12,15H,13-14H2,1H3,(H,25,30)(H2,24,26,29)
InChIKeyZFCDYNMONOVZNW-UHFFFAOYSA-N
XLogP3.04
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea with MolForge

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Related Compounds

1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553421
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 56553698
1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 55793735
4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 56554813
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56503212
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119838766
1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56554684
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 138993036

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The IUPAC name of 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (CID 56553525) is 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCc1ccccc1Cn1ccnc1.
What is the InChIKey of 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The InChIKey is ZFCDYNMONOVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-16-12-25-22(30)28(16)20-9-5-4-8-19(20)26-21(29)24-13-17-6-2-3-7-18(17)14-27-11-10-23-15-27/h2-12,15H,13-14H2,1H3,(H,25,30)(H2,24,26,29).
What are the key properties of 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea has a molecular weight of 402.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is sourced from PubChem (CID 56553525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).