1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea

C15H16N6O2 — CID 155962944

IUPAC1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea
SMILESCOc1cn[nH]c1NC(=O)Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H16N6O2/c1-23-13-8-17-20-14(13)19-15(22)18-12-4-2-11(3-5-12)9-21-7-6-16-10-21/h2-8,10H,9H2,1H3,(H3,17,18,19,20,22)
InChIKeyQZEAOXRBTMNXHW-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.31
Rot. Bonds5

About 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea

1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea (PubChem CID 155962944) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea
PubChem CID155962944
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea
SMILESCOc1cn[nH]c1NC(=O)Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H16N6O2/c1-23-13-8-17-20-14(13)19-15(22)18-12-4-2-11(3-5-12)9-21-7-6-16-10-21/h2-8,10H,9H2,1H3,(H3,17,18,19,20,22)
InChIKeyQZEAOXRBTMNXHW-UHFFFAOYSA-N
XLogP2.31
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166322333
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 167959564
methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4-methoxybenzoate
CID 100539709
N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 46230880
1-[4-(imidazol-1-ylmethyl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 86933282
1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166211543
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
CID 86977849
5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 51114924
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea?
The IUPAC name of 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea (CID 155962944) is 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea is COc1cn[nH]c1NC(=O)Nc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea?
The InChIKey is QZEAOXRBTMNXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-23-13-8-17-20-14(13)19-15(22)18-12-4-2-11(3-5-12)9-21-7-6-16-10-21/h2-8,10H,9H2,1H3,(H3,17,18,19,20,22).
What are the key properties of 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea?
1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea has a molecular weight of 312.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea is sourced from PubChem (CID 155962944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).