1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea

C19H22N6O — CID 29184093

IUPAC1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
SMILESCc1ccc(-c2cnc(NC(=O)NCC3(Cn4cccn4)CC3)[nH]2)cc1
InChIInChI=1S/C19H22N6O/c1-14-3-5-15(6-4-14)16-11-20-17(23-16)24-18(26)21-12-19(7-8-19)13-25-10-2-9-22-25/h2-6,9-11H,7-8,12-13H2,1H3,(H3,20,21,23,24,26)
InChIKeyKWYVZAGVNSWINU-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.18
Rot. Bonds6

About 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea

1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea (PubChem CID 29184093) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
PubChem CID29184093
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
SMILESCc1ccc(-c2cnc(NC(=O)NCC3(Cn4cccn4)CC3)[nH]2)cc1
InChIInChI=1S/C19H22N6O/c1-14-3-5-15(6-4-14)16-11-20-17(23-16)24-18(26)21-12-19(7-8-19)13-25-10-2-9-22-25/h2-6,9-11H,7-8,12-13H2,1H3,(H3,20,21,23,24,26)
InChIKeyKWYVZAGVNSWINU-UHFFFAOYSA-N
XLogP3.18
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea (CID 29184093) is 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea is Cc1ccc(-c2cnc(NC(=O)NCC3(Cn4cccn4)CC3)[nH]2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea?
The InChIKey is KWYVZAGVNSWINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-3-5-15(6-4-14)16-11-20-17(23-16)24-18(26)21-12-19(7-8-19)13-25-10-2-9-22-25/h2-6,9-11H,7-8,12-13H2,1H3,(H3,20,21,23,24,26).
What are the key properties of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea?
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea has a molecular weight of 350.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 29184093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).