4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide

C11H11N5O2 — CID 55027633

IUPAC4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2ncc[nH]2)cc1
InChIInChI=1S/C11H11N5O2/c12-10(18)15-8-3-1-7(2-4-8)9(17)16-11-13-5-6-14-11/h1-6H,(H3,12,15,18)(H2,13,14,16,17)
InChIKeyURNBRZLXGXSJPV-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.15
Rot. Bonds3

About 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide

4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide (PubChem CID 55027633) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
PubChem CID55027633
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2ncc[nH]2)cc1
InChIInChI=1S/C11H11N5O2/c12-10(18)15-8-3-1-7(2-4-8)9(17)16-11-13-5-6-14-11/h1-6H,(H3,12,15,18)(H2,13,14,16,17)
InChIKeyURNBRZLXGXSJPV-UHFFFAOYSA-N
XLogP1.15
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide
CID 102851678
N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60968095
N-(1H-imidazol-2-yl)-6-methylpyridine-3-carboxamide
CID 60968795
3,4-difluoro-N-(1H-imidazol-2-yl)benzamide
CID 63565198
N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 60968230
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191
4-butoxy-N-(1H-imidazol-2-yl)benzamide
CID 60968641
4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 82832514
4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 115694734
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998937
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide (CID 55027633) is 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide is NC(=O)Nc1ccc(C(=O)Nc2ncc[nH]2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is URNBRZLXGXSJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-10(18)15-8-3-1-7(2-4-8)9(17)16-11-13-5-6-14-11/h1-6H,(H3,12,15,18)(H2,13,14,16,17).
What are the key properties of 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide?
4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 245.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 55027633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).