4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide

C19H14ClN5O2 — CID 59349397

IUPAC4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide
SMILESO=C(Cc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H14ClN5O2/c20-11-5-1-2-6-12(11)25-19(27)18-17(21-10-22-18)15(26)9-16-23-13-7-3-4-8-14(13)24-16/h1-8,10H,9H2,(H,21,22)(H,23,24)(H,25,27)
InChIKeyDIHJUEGETOLKEA-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.62
Rot. Bonds5

About 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide

4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide (PubChem CID 59349397) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide
PubChem CID59349397
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide
SMILESO=C(Cc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H14ClN5O2/c20-11-5-1-2-6-12(11)25-19(27)18-17(21-10-22-18)15(26)9-16-23-13-7-3-4-8-14(13)24-16/h1-8,10H,9H2,(H,21,22)(H,23,24)(H,25,27)
InChIKeyDIHJUEGETOLKEA-UHFFFAOYSA-N
XLogP3.62
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 24983646
tert-butyl 3-[4-[[4-[2-(1H-benzimidazol-2-yl)acetyl]-1H-imidazole-5-carbonyl]amino]-3-methylphenoxy]azetidine-1-carboxylate
CID 59349438
2-[2-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]phenyl]ethylcarbamic acid
CID 68600786
5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 24984741
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985602
5-N-(1H-benzimidazol-2-yl)-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984746
4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 103477624
5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
tert-butyl 4-[4-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-chlorophenoxy]piperidine-1-carboxylate
CID 59349487
2-(1H-benzimidazol-2-yl)acetate
CID 6955878
N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide
CID 160550258
5-N-(1H-benzimidazol-2-yl)-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985261

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide (CID 59349397) is 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide is O=C(Cc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1ccccc1Cl.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide?
The InChIKey is DIHJUEGETOLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-11-5-1-2-6-12(11)25-19(27)18-17(21-10-22-18)15(26)9-16-23-13-7-3-4-8-14(13)24-16/h1-8,10H,9H2,(H,21,22)(H,23,24)(H,25,27).
What are the key properties of 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide?
4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 59349397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).