2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide

C16H13BrN4O2 — CID 168933549

IUPAC2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(Br)nc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H13BrN4O2/c17-16-20-13(14(18)23)15(21-16)19-12(22)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyZJXLDRFBEGCBRX-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.61
Rot. Bonds4

About 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide

2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide (PubChem CID 168933549) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide
PubChem CID168933549
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(Br)nc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H13BrN4O2/c17-16-20-13(14(18)23)15(21-16)19-12(22)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyZJXLDRFBEGCBRX-UHFFFAOYSA-N
XLogP2.61
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
CID 115594855
2-naphthalen-1-yl-N-pyridin-2-ylacetamide;hydrochloride
CID 163331171
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-carbamothioyl-2-naphthalen-1-ylacetamide
CID 150600565
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
N'-acridin-9-yl-2-naphthalen-1-ylacetohydrazide
CID 3740992
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 8503008
N-(9H-carbazol-3-yl)-2-naphthalen-1-ylacetamide
CID 43917240
N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
CID 57044297

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide (CID 168933549) is 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide is NC(=O)c1[nH]c(Br)nc1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide?
The InChIKey is ZJXLDRFBEGCBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-16-20-13(14(18)23)15(21-16)19-12(22)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,18,23)(H,19,22)(H,20,21).
What are the key properties of 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide?
2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 168933549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).