[3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium

C28H21Cl2N4O3+ — CID 142812784

IUPAC[3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc([ClH+])cc5Cl)cc4)[nH]c3c2)cc1
InChIInChI=1S/C28H20Cl2N4O3/c1-37-21-10-4-17(5-11-21)27(35)32-20-9-13-24-25(15-20)34-26(33-24)16-2-7-19(8-3-16)31-28(36)22-12-6-18(29)14-23(22)30/h2-15,29H,1H3,(H2-,31,32,33,34,35,36)/p+1
InChIKeyAIAQJAZHFXJRNB-UHFFFAOYSA-O
MW532.41 g/mol
LogP6.09
Rot. Bonds6

About [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium

[3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium (PubChem CID 142812784) has the molecular formula C28H21Cl2N4O3+ and a molecular weight of 532.41 g/mol. Its IUPAC name is [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium.

Molecular Properties

Compound Name[3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium
PubChem CID142812784
Molecular FormulaC28H21Cl2N4O3+
Molecular Weight532.41 g/mol
Exact Mass531.10
IUPAC Name[3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc([ClH+])cc5Cl)cc4)[nH]c3c2)cc1
InChIInChI=1S/C28H20Cl2N4O3/c1-37-21-10-4-17(5-11-21)27(35)32-20-9-13-24-25(15-20)34-26(33-24)16-2-7-19(8-3-16)31-28(36)22-12-6-18(29)14-23(22)30/h2-15,29H,1H3,(H2-,31,32,33,34,35,36)/p+1
InChIKeyAIAQJAZHFXJRNB-UHFFFAOYSA-O
XLogP6.09
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.41
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium with MolForge

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44565645
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 1367400
4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 4161341
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
HhAntag
CID 9911630
2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177646
2-[4-(3-Chloro-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10292206
2-(4-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11511483
2-(4-((1-(4-chlorobenzyl)piperidin-3-yl)methoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11691398
2-(4-(2-(1-(4-chlorobenzyl)piperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11712859

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium?
The IUPAC name of [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium (CID 142812784) is [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium.
What is the SMILES notation for [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium?
The canonical SMILES for [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium is COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc([ClH+])cc5Cl)cc4)[nH]c3c2)cc1.
What is the InChIKey of [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium?
The InChIKey is AIAQJAZHFXJRNB-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H20Cl2N4O3/c1-37-21-10-4-17(5-11-21)27(35)32-20-9-13-24-25(15-20)34-26(33-24)16-2-7-19(8-3-16)31-28(36)22-12-6-18(29)14-23(22)30/h2-15,29H,1H3,(H2-,31,32,33,34,35,36)/p+1.
What are the key properties of [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium?
[3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium has a molecular weight of 532.41 g/mol, XLogP of 6.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]chloranium is sourced from PubChem (CID 142812784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).