N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide

C15H8Cl4N4O2 — CID 88589608

IUPACN-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide
SMILESNc1nc2ccc(NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C=O)cc2[nH]1
InChIInChI=1S/C15H8Cl4N4O2/c16-10-6(4-24)9(11(17)13(19)12(10)18)14(25)21-5-1-2-7-8(3-5)23-15(20)22-7/h1-4H,(H,21,25)(H3,20,22,23)
InChIKeySWRCTLAPRHHHKX-UHFFFAOYSA-N
MW418.07 g/mol
LogP4.82
Rot. Bonds3

About N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide

N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide (PubChem CID 88589608) has the molecular formula C15H8Cl4N4O2 and a molecular weight of 418.07 g/mol. Its IUPAC name is N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide
PubChem CID88589608
Molecular FormulaC15H8Cl4N4O2
Molecular Weight418.07 g/mol
Exact Mass415.94
IUPAC NameN-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide
SMILESNc1nc2ccc(NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C=O)cc2[nH]1
InChIInChI=1S/C15H8Cl4N4O2/c16-10-6(4-24)9(11(17)13(19)12(10)18)14(25)21-5-1-2-7-8(3-5)23-15(20)22-7/h1-4H,(H,21,25)(H3,20,22,23)
InChIKeySWRCTLAPRHHHKX-UHFFFAOYSA-N
XLogP4.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.07
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide
CID 84579347
3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791
(2S,3S)-N-(2-amino-3H-benzimidazol-5-yl)-N'-(4-fluorophenyl)-2,3-dihydroxybutanediamide;2,2,2-trifluoroacetic acid
CID 159792659
2-[2-(2-amino-3H-benzimidazol-5-yl)acetyl]-3,4,5-trichloro-6-methylbenzoic acid
CID 159941579
2-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxopropyl]benzamide
CID 173118833
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
CID 84582445
N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
CID 84581968
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 10149852

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide?
The IUPAC name of N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide (CID 88589608) is N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide.
What is the SMILES notation for N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide?
The canonical SMILES for N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide is Nc1nc2ccc(NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C=O)cc2[nH]1.
What is the InChIKey of N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide?
The InChIKey is SWRCTLAPRHHHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl4N4O2/c16-10-6(4-24)9(11(17)13(19)12(10)18)14(25)21-5-1-2-7-8(3-5)23-15(20)22-7/h1-4H,(H,21,25)(H3,20,22,23).
What are the key properties of N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide?
N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide has a molecular weight of 418.07 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3H-benzimidazol-5-yl)-2,3,4,5-tetrachloro-6-formylbenzamide is sourced from PubChem (CID 88589608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).