1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea

C22H33N5O2 — CID 42819641

IUPAC1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCCNC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1cc(C)ccc1C
InChIInChI=1S/C22H33N5O2/c1-4-23-22(28)27(10-9-25-11-13-29-14-12-25)17-21-24-7-8-26(21)16-20-15-18(2)5-6-19(20)3/h5-8,15H,4,9-14,16-17H2,1-3H3,(H,23,28)
InChIKeyKALMJKQQFLCXII-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.41
Rot. Bonds8

About 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea

1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea (PubChem CID 42819641) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
PubChem CID42819641
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCCNC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1cc(C)ccc1C
InChIInChI=1S/C22H33N5O2/c1-4-23-22(28)27(10-9-25-11-13-29-14-12-25)17-21-24-7-8-26(21)16-20-15-18(2)5-6-19(20)3/h5-8,15H,4,9-14,16-17H2,1-3H3,(H,23,28)
InChIKeyKALMJKQQFLCXII-UHFFFAOYSA-N
XLogP2.41
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42819288
1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 42819707
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819996
N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 42819993
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42819426
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
3-methoxy-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819998
2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
CID 42819529
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42819335
1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 110670134
1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 42819953

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea (CID 42819641) is 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea is CCNC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1cc(C)ccc1C.
What is the InChIKey of 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is KALMJKQQFLCXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-4-23-22(28)27(10-9-25-11-13-29-14-12-25)17-21-24-7-8-26(21)16-20-15-18(2)5-6-19(20)3/h5-8,15H,4,9-14,16-17H2,1-3H3,(H,23,28).
What are the key properties of 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea?
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 399.54 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 42819641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).