1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea

C27H41N5O3 — CID 59262469

IUPAC1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1
InChIInChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,15-14-19-8-4-3-5-9-19)18-20-10-6-11-21(16-20)29-26(34)30-22-12-7-13-23(17-22)35-2/h7,12-13,17,19-21H,3-6,8-11,14-16,18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,21+,27+/m0/s1
InChIKeyJTNSVFPLHWXRHB-FYQCMVGJSA-N
MW483.66 g/mol
LogP4.65
Rot. Bonds8

About 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea

1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea (PubChem CID 59262469) has the molecular formula C27H41N5O3 and a molecular weight of 483.66 g/mol. Its IUPAC name is 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
PubChem CID59262469
Molecular FormulaC27H41N5O3
Molecular Weight483.66 g/mol
Exact Mass483.32
IUPAC Name1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1
InChIInChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,15-14-19-8-4-3-5-9-19)18-20-10-6-11-21(16-20)29-26(34)30-22-12-7-13-23(17-22)35-2/h7,12-13,17,19-21H,3-6,8-11,14-16,18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,21+,27+/m0/s1
InChIKeyJTNSVFPLHWXRHB-FYQCMVGJSA-N
XLogP4.65
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea
CID 11775374
1-[(1R,3S)-3-[[(4R)-2-amino-4-(3-cyclohexylpropyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea
CID 163694065
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-[4-(dimethylamino)phenyl]urea
CID 59387135
1-[(3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-cyanophenyl)urea
CID 70123433
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-cyanophenyl)urea
CID 59262353
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide
CID 11496530
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]cyclopentanecarboxamide
CID 59388787
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-chlorobenzamide
CID 59262388
N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide
CID 118911609
3-[(3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methyl-N-naphthalen-2-ylbutanamide
CID 163532654
N-[3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide
CID 143244170
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea (CID 59262469) is 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1.
What is the InChIKey of 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea?
The InChIKey is JTNSVFPLHWXRHB-FYQCMVGJSA-N. The full InChI is InChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,15-14-19-8-4-3-5-9-19)18-20-10-6-11-21(16-20)29-26(34)30-22-12-7-13-23(17-22)35-2/h7,12-13,17,19-21H,3-6,8-11,14-16,18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,21+,27+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea?
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea has a molecular weight of 483.66 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 59262469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).