1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea

C17H17N5O — CID 94825570

IUPAC1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
SMILESC[C@@H](NC(=O)Nc1ccccn1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H17N5O/c1-12(20-17(23)22-15-9-5-6-10-18-15)16-19-11-14(21-16)13-7-3-2-4-8-13/h2-12H,1H3,(H,19,21)(H2,18,20,22,23)/t12-/m1/s1
InChIKeySRCCMUDIZNVOCG-GFCCVEGCSA-N
MW307.36 g/mol
LogP3.35
Rot. Bonds4

About 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea

1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea (PubChem CID 94825570) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
PubChem CID94825570
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
SMILESC[C@@H](NC(=O)Nc1ccccn1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H17N5O/c1-12(20-17(23)22-15-9-5-6-10-18-15)16-19-11-14(21-16)13-7-3-2-4-8-13/h2-12H,1H3,(H,19,21)(H2,18,20,22,23)/t12-/m1/s1
InChIKeySRCCMUDIZNVOCG-GFCCVEGCSA-N
XLogP3.35
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 94779070
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 95287151
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 47084188
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390
2,5-dimethyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 56822371
2,5-dimethyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 95595238
(1R)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806747
(1S)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806749
(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 94823273

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea (CID 94825570) is 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea is C[C@@H](NC(=O)Nc1ccccn1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea?
The InChIKey is SRCCMUDIZNVOCG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12(20-17(23)22-15-9-5-6-10-18-15)16-19-11-14(21-16)13-7-3-2-4-8-13/h2-12H,1H3,(H,19,21)(H2,18,20,22,23)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea?
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea has a molecular weight of 307.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 94825570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).