1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

C24H29N5O2 — CID 51729053

IUPAC1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCn1ccnc1[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-28-12-11-25-23(28)22(19-7-3-2-4-8-19)27-24(30)26-17-20-9-5-6-10-21(20)18-29-13-15-31-16-14-29/h2-12,22H,13-18H2,1H3,(H2,26,27,30)/t22-/m1/s1
InChIKeyMVLWYYCCLWXLEP-JOCHJYFZSA-N
MW419.53 g/mol
LogP2.84
Rot. Bonds7

About 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 51729053) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID51729053
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCn1ccnc1[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-28-12-11-25-23(28)22(19-7-3-2-4-8-19)27-24(30)26-17-20-9-5-6-10-21(20)18-29-13-15-31-16-14-29/h2-12,22H,13-18H2,1H3,(H2,26,27,30)/t22-/m1/s1
InChIKeyMVLWYYCCLWXLEP-JOCHJYFZSA-N
XLogP2.84
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 55597297
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55923362
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 125159632
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
1-(1-cyclopropylethyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 134001880
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 42954354
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 51729053) is 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is Cn1ccnc1[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is MVLWYYCCLWXLEP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-28-12-11-25-23(28)22(19-7-3-2-4-8-19)27-24(30)26-17-20-9-5-6-10-21(20)18-29-13-15-31-16-14-29/h2-12,22H,13-18H2,1H3,(H2,26,27,30)/t22-/m1/s1.
What are the key properties of 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 419.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 51729053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).