1-(1H-imidazol-2-yl)-3-propan-2-ylurea

C7H12N4O — CID 63564076

IUPAC1-(1H-imidazol-2-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ncc[nH]1
InChIInChI=1S/C7H12N4O/c1-5(2)10-7(12)11-6-8-3-4-9-6/h3-5H,1-2H3,(H3,8,9,10,11,12)
InChIKeyCWKHWQRCMSRDKI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.94
Rot. Bonds2

About 1-(1H-imidazol-2-yl)-3-propan-2-ylurea

1-(1H-imidazol-2-yl)-3-propan-2-ylurea (PubChem CID 63564076) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-propan-2-ylurea
PubChem CID63564076
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-(1H-imidazol-2-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ncc[nH]1
InChIInChI=1S/C7H12N4O/c1-5(2)10-7(12)11-6-8-3-4-9-6/h3-5H,1-2H3,(H3,8,9,10,11,12)
InChIKeyCWKHWQRCMSRDKI-UHFFFAOYSA-N
XLogP0.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(1H-imidazol-2-yl)urea
CID 154210460
2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide
CID 60968491
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
CID 131084397
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 55212567
N-(propan-2-ylsulfamoyl)-1H-imidazol-2-amine
CID 114810099
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
N-(1H-imidazol-2-yl)ethanethioamide
CID 54241450

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-propan-2-ylurea (CID 63564076) is 1-(1H-imidazol-2-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-propan-2-ylurea?
The InChIKey is CWKHWQRCMSRDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)10-7(12)11-6-8-3-4-9-6/h3-5H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 1-(1H-imidazol-2-yl)-3-propan-2-ylurea?
1-(1H-imidazol-2-yl)-3-propan-2-ylurea has a molecular weight of 168.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-propan-2-ylurea is sourced from PubChem (CID 63564076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).