8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid

C19H13ClN4O3 — CID 88589606

IUPAC8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)Nc3ccc4nc(NCl)[nH]c4c3)c12
InChIInChI=1S/C19H13ClN4O3/c20-24-19-22-14-8-7-11(9-15(14)23-19)21-17(25)12-5-1-3-10-4-2-6-13(16(10)12)18(26)27/h1-9H,(H,21,25)(H,26,27)(H2,22,23,24)
InChIKeyUHIVHSBXYBMDLM-UHFFFAOYSA-N
MW380.79 g/mol
LogP4.23
Rot. Bonds4

About 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid

8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid (PubChem CID 88589606) has the molecular formula C19H13ClN4O3 and a molecular weight of 380.79 g/mol. Its IUPAC name is 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid
PubChem CID88589606
Molecular FormulaC19H13ClN4O3
Molecular Weight380.79 g/mol
Exact Mass380.07
IUPAC Name8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)Nc3ccc4nc(NCl)[nH]c4c3)c12
InChIInChI=1S/C19H13ClN4O3/c20-24-19-22-14-8-7-11(9-15(14)23-19)21-17(25)12-5-1-3-10-4-2-6-13(16(10)12)18(26)27/h1-9H,(H,21,25)(H,26,27)(H2,22,23,24)
InChIKeyUHIVHSBXYBMDLM-UHFFFAOYSA-N
XLogP4.23
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
(2S,3R)-3-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 118600860
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide
CID 112523785
2-[[4-[6-[[2-[4-[(2-carboxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoic acid
CID 10305749
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
CID 69347834
8-[[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18898946
8-[[4-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786534
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
CID 58156302
8-[[3-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897422
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-3H-benzimidazol-5-yl]benzamide
CID 10113684

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid?
The IUPAC name of 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid (CID 88589606) is 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid is O=C(O)c1cccc2cccc(C(=O)Nc3ccc4nc(NCl)[nH]c4c3)c12.
What is the InChIKey of 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid?
The InChIKey is UHIVHSBXYBMDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3/c20-24-19-22-14-8-7-11(9-15(14)23-19)21-17(25)12-5-1-3-10-4-2-6-13(16(10)12)18(26)27/h1-9H,(H,21,25)(H,26,27)(H2,22,23,24).
What are the key properties of 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid?
8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid has a molecular weight of 380.79 g/mol, XLogP of 4.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 88589606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).