1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

C24H31N5O2 — CID 78886445

IUPAC1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccc(C(NC(=O)NCC(Nc2ccccc2)C(C)C)c2nccn2C)cc1
InChIInChI=1S/C24H31N5O2/c1-17(2)21(27-19-8-6-5-7-9-19)16-26-24(30)28-22(23-25-14-15-29(23)3)18-10-12-20(31-4)13-11-18/h5-15,17,21-22,27H,16H2,1-4H3,(H2,26,28,30)
InChIKeyNLZWZKNRUBLQBE-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.95
Rot. Bonds9

About 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 78886445) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
PubChem CID78886445
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccc(C(NC(=O)NCC(Nc2ccccc2)C(C)C)c2nccn2C)cc1
InChIInChI=1S/C24H31N5O2/c1-17(2)21(27-19-8-6-5-7-9-19)16-26-24(30)28-22(23-25-14-15-29(23)3)18-10-12-20(31-4)13-11-18/h5-15,17,21-22,27H,16H2,1-4H3,(H2,26,28,30)
InChIKeyNLZWZKNRUBLQBE-UHFFFAOYSA-N
XLogP3.95
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea with MolForge

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Related Compounds

1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide
CID 55911891
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
1-[2-(diethylamino)-2-phenylethyl]-3-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55738633
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026862

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (CID 78886445) is 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is COc1ccc(C(NC(=O)NCC(Nc2ccccc2)C(C)C)c2nccn2C)cc1.
What is the InChIKey of 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is NLZWZKNRUBLQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-17(2)21(27-19-8-6-5-7-9-19)16-26-24(30)28-22(23-25-14-15-29(23)3)18-10-12-20(31-4)13-11-18/h5-15,17,21-22,27H,16H2,1-4H3,(H2,26,28,30).
What are the key properties of 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 421.55 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 78886445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).