1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea

C19H26N4O — CID 119067574

IUPAC1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea
SMILESCN(CC1(c2ccccc2)CC1(C)C)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C19H26N4O/c1-18(2)12-19(18,15-7-5-4-6-8-15)13-23(3)17(24)21-10-9-16-11-20-14-22-16/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyJJYLZMBTHYDNLG-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.96
Rot. Bonds6

About 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea

1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea (PubChem CID 119067574) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea
PubChem CID119067574
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea
SMILESCN(CC1(c2ccccc2)CC1(C)C)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C19H26N4O/c1-18(2)12-19(18,15-7-5-4-6-8-15)13-23(3)17(24)21-10-9-16-11-20-14-22-16/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyJJYLZMBTHYDNLG-UHFFFAOYSA-N
XLogP2.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74249393
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
CID 124751399
N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide
CID 74237071
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-fluoro-N-methylpyridine-3-carboxamide
CID 126431971
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 65232024
3-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-1-[(1R)-1-pyridin-3-ylpropyl]urea
CID 126434780
2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 118789686
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125161588
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 77091092

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea?
The IUPAC name of 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea (CID 119067574) is 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea?
The canonical SMILES for 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea is CN(CC1(c2ccccc2)CC1(C)C)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea?
The InChIKey is JJYLZMBTHYDNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-18(2)12-19(18,15-7-5-4-6-8-15)13-23(3)17(24)21-10-9-16-11-20-14-22-16/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea?
1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea has a molecular weight of 326.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea is sourced from PubChem (CID 119067574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).