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

C20H27N5O2 — CID 125159632

IUPAC1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESCn1ccnc1[C@@H](NC(=O)Nc1ccccc1CN1CCOCC1)C1CC1
InChIInChI=1S/C20H27N5O2/c1-24-9-8-21-19(24)18(15-6-7-15)23-20(26)22-17-5-3-2-4-16(17)14-25-10-12-27-13-11-25/h2-5,8-9,15,18H,6-7,10-14H2,1H3,(H2,22,23,26)/t18-/m0/s1
InChIKeyZLMUTMBWMUOKPE-SFHVURJKSA-N
MW369.47 g/mol
LogP2.53
Rot. Bonds6

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

1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 125159632) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID125159632
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESCn1ccnc1[C@@H](NC(=O)Nc1ccccc1CN1CCOCC1)C1CC1
InChIInChI=1S/C20H27N5O2/c1-24-9-8-21-19(24)18(15-6-7-15)23-20(26)22-17-5-3-2-4-16(17)14-25-10-12-27-13-11-25/h2-5,8-9,15,18H,6-7,10-14H2,1H3,(H2,22,23,26)/t18-/m0/s1
InChIKeyZLMUTMBWMUOKPE-SFHVURJKSA-N
XLogP2.53
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 126450388
1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 97282292
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51729053
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
CID 72934817
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988102
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea (CID 125159632) is 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea is Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1CN1CCOCC1)C1CC1.
What is the InChIKey of 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is ZLMUTMBWMUOKPE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24-9-8-21-19(24)18(15-6-7-15)23-20(26)22-17-5-3-2-4-16(17)14-25-10-12-27-13-11-25/h2-5,8-9,15,18H,6-7,10-14H2,1H3,(H2,22,23,26)/t18-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 369.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 125159632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).