1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea

C12H15N5O2 — CID 138007092

IUPAC1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)N[C@H](C)c1ncc[nH]1
InChIInChI=1S/C12H15N5O2/c1-8(10-13-6-7-14-10)16-12(18)17-9-4-3-5-15-11(9)19-2/h3-8H,1-2H3,(H,13,14)(H2,16,17,18)/t8-/m1/s1
InChIKeyBUWOKRVDEBUMLB-MRVPVSSYSA-N
MW261.29 g/mol
LogP1.70
Rot. Bonds4

About 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea

1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 138007092) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
PubChem CID138007092
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)N[C@H](C)c1ncc[nH]1
InChIInChI=1S/C12H15N5O2/c1-8(10-13-6-7-14-10)16-12(18)17-9-4-3-5-15-11(9)19-2/h3-8H,1-2H3,(H,13,14)(H2,16,17,18)/t8-/m1/s1
InChIKeyBUWOKRVDEBUMLB-MRVPVSSYSA-N
XLogP1.70
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea (CID 138007092) is 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea is COc1ncccc1NC(=O)N[C@H](C)c1ncc[nH]1.
What is the InChIKey of 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is BUWOKRVDEBUMLB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(10-13-6-7-14-10)16-12(18)17-9-4-3-5-15-11(9)19-2/h3-8H,1-2H3,(H,13,14)(H2,16,17,18)/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 261.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 138007092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).