1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea

C19H24N4O — CID 95935257

IUPAC1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea
SMILESC[C@H](C1CC1)N(C(=O)NCc1cccc(-n2ccnc2)c1)C1CC1
InChIInChI=1S/C19H24N4O/c1-14(16-5-6-16)23(17-7-8-17)19(24)21-12-15-3-2-4-18(11-15)22-10-9-20-13-22/h2-4,9-11,13-14,16-17H,5-8,12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyACIOLYLVXFZYGJ-CQSZACIVSA-N
MW324.43 g/mol
LogP3.34
Rot. Bonds6

About 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea

1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea (PubChem CID 95935257) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea
PubChem CID95935257
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea
SMILESC[C@H](C1CC1)N(C(=O)NCc1cccc(-n2ccnc2)c1)C1CC1
InChIInChI=1S/C19H24N4O/c1-14(16-5-6-16)23(17-7-8-17)19(24)21-12-15-3-2-4-18(11-15)22-10-9-20-13-22/h2-4,9-11,13-14,16-17H,5-8,12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyACIOLYLVXFZYGJ-CQSZACIVSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea with MolForge

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Related Compounds

1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
CID 71990049
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95769974
3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63428404
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methyl-1-(3-methylsulfanylcyclopentyl)urea
CID 71920804
N-[(3-imidazol-1-ylphenyl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 71984187
N-[(3-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide
CID 71997551
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea (CID 95935257) is 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea is C[C@H](C1CC1)N(C(=O)NCc1cccc(-n2ccnc2)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea?
The InChIKey is ACIOLYLVXFZYGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(16-5-6-16)23(17-7-8-17)19(24)21-12-15-3-2-4-18(11-15)22-10-9-20-13-22/h2-4,9-11,13-14,16-17H,5-8,12H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea?
1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea has a molecular weight of 324.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[(3-imidazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 95935257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).