2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide

C15H10ClN5O5 — CID 4226202

IUPAC2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide
SMILESCn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)nc2ccccc21
InChIInChI=1S/C15H10ClN5O5/c1-19-11-5-3-2-4-10(11)17-15(19)18-14(22)9-6-8(20(23)24)7-12(13(9)16)21(25)26/h2-7H,1H3,(H,17,18,22)
InChIKeyPKTWRORCOUJWCY-UHFFFAOYSA-N
MW375.73 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide

2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide (PubChem CID 4226202) has the molecular formula C15H10ClN5O5 and a molecular weight of 375.73 g/mol. Its IUPAC name is 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide
PubChem CID4226202
Molecular FormulaC15H10ClN5O5
Molecular Weight375.73 g/mol
Exact Mass375.04
IUPAC Name2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide
SMILESCn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)nc2ccccc21
InChIInChI=1S/C15H10ClN5O5/c1-19-11-5-3-2-4-10(11)17-15(19)18-14(22)9-6-8(20(23)24)7-12(13(9)16)21(25)26/h2-7H,1H3,(H,17,18,22)
InChIKeyPKTWRORCOUJWCY-UHFFFAOYSA-N
XLogP3.30
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide
CID 5175893
N-(1,3-benzothiazol-2-yl)-2-chloro-3,5-dinitrobenzamide
CID 3512224
1-methyl-N-(1-methylbenzimidazol-2-yl)-4-nitropyrazole-5-carboxamide
CID 19580199
2-chloro-3,5-dinitro-N-pyridin-3-ylbenzamide
CID 4633114
N-(1-methylbenzimidazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 831829
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-3,5-dinitrobenzamide
CID 3276114
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide
CID 4633443
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766
2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide
CID 23938449
2-chloro-N-(4-methyl-2-pyridinyl)-3,5-dinitrobenzamide
CID 4629189
2-[(1-butylbenzimidazol-2-yl)carbamoyl]-5-nitrobenzoic acid
CID 56690839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide?
The IUPAC name of 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide (CID 4226202) is 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide.
What is the SMILES notation for 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide?
The canonical SMILES for 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide is Cn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide?
The InChIKey is PKTWRORCOUJWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O5/c1-19-11-5-3-2-4-10(11)17-15(19)18-14(22)9-6-8(20(23)24)7-12(13(9)16)21(25)26/h2-7H,1H3,(H,17,18,22).
What are the key properties of 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide?
2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide has a molecular weight of 375.73 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide is sourced from PubChem (CID 4226202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).