1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea

C18H24N4O — CID 95159896

IUPAC1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea
SMILESC[C@@H](c1ccccc1)N(CC1CC1)C(=O)NCCn1ccnc1
InChIInChI=1S/C18H24N4O/c1-15(17-5-3-2-4-6-17)22(13-16-7-8-16)18(23)20-10-12-21-11-9-19-14-21/h2-6,9,11,14-16H,7-8,10,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyWIVXZUIVCCTHQG-HNNXBMFYSA-N
MW312.42 g/mol
LogP3.07
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea

1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea (PubChem CID 95159896) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea
PubChem CID95159896
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea
SMILESC[C@@H](c1ccccc1)N(CC1CC1)C(=O)NCCn1ccnc1
InChIInChI=1S/C18H24N4O/c1-15(17-5-3-2-4-6-17)22(13-16-7-8-16)18(23)20-10-12-21-11-9-19-14-21/h2-6,9,11,14-16H,7-8,10,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyWIVXZUIVCCTHQG-HNNXBMFYSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63323955
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CID 128997935
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
3-(2-imidazol-1-ylethyl)-1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128970799
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97192365
2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid
CID 63646315
N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95293621
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
CID 111450422

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea (CID 95159896) is 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea is C[C@@H](c1ccccc1)N(CC1CC1)C(=O)NCCn1ccnc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea?
The InChIKey is WIVXZUIVCCTHQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15(17-5-3-2-4-6-17)22(13-16-7-8-16)18(23)20-10-12-21-11-9-19-14-21/h2-6,9,11,14-16H,7-8,10,12-13H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea?
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea has a molecular weight of 312.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 95159896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).