1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea

C16H23N5O2 — CID 167876750

IUPAC1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea
SMILESO=C(NNC(=O)c1cn2c(n1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H23N5O2/c22-15(13-9-21-6-2-1-3-14(21)17-13)19-20-16(23)18-12-8-10-4-5-11(12)7-10/h9-12H,1-8H2,(H,19,22)(H2,18,20,23)/t10-,11+,12-/m0/s1
InChIKeyKGRGCJVVIBNKBL-TUAOUCFPSA-N
MW317.39 g/mol
LogP1.35
Rot. Bonds2

About 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea

1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea (PubChem CID 167876750) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea.

Molecular Properties

Compound Name1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea
PubChem CID167876750
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea
SMILESO=C(NNC(=O)c1cn2c(n1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H23N5O2/c22-15(13-9-21-6-2-1-3-14(21)17-13)19-20-16(23)18-12-8-10-4-5-11(12)7-10/h9-12H,1-8H2,(H,19,22)(H2,18,20,23)/t10-,11+,12-/m0/s1
InChIKeyKGRGCJVVIBNKBL-TUAOUCFPSA-N
XLogP1.35
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea?
The IUPAC name of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea (CID 167876750) is 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea.
What is the SMILES notation for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea?
The canonical SMILES for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea is O=C(NNC(=O)c1cn2c(n1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea?
The InChIKey is KGRGCJVVIBNKBL-TUAOUCFPSA-N. The full InChI is InChI=1S/C16H23N5O2/c22-15(13-9-21-6-2-1-3-14(21)17-13)19-20-16(23)18-12-8-10-4-5-11(12)7-10/h9-12H,1-8H2,(H,19,22)(H2,18,20,23)/t10-,11+,12-/m0/s1.
What are the key properties of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea?
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea has a molecular weight of 317.39 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea is sourced from PubChem (CID 167876750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).