1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide

C19H15ClN4O — CID 170195146

IUPAC1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)Nc3c[nH]c4ccccc34)c2)cc1Cl
InChIInChI=1S/C19H15ClN4O/c1-12-6-7-13(8-15(12)20)24-10-18(22-11-24)19(25)23-17-9-21-16-5-3-2-4-14(16)17/h2-11,21H,1H3,(H,23,25)
InChIKeyLRONCWMUSMUZGJ-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.57
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide

1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide (PubChem CID 170195146) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide
PubChem CID170195146
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)Nc3c[nH]c4ccccc34)c2)cc1Cl
InChIInChI=1S/C19H15ClN4O/c1-12-6-7-13(8-15(12)20)24-10-18(22-11-24)19(25)23-17-9-21-16-5-3-2-4-14(16)17/h2-11,21H,1H3,(H,23,25)
InChIKeyLRONCWMUSMUZGJ-UHFFFAOYSA-N
XLogP4.57
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide (CID 170195146) is 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide is Cc1ccc(-n2cnc(C(=O)Nc3c[nH]c4ccccc34)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide?
The InChIKey is LRONCWMUSMUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-6-7-13(8-15(12)20)24-10-18(22-11-24)19(25)23-17-9-21-16-5-3-2-4-14(16)17/h2-11,21H,1H3,(H,23,25).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide?
1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-(1H-indol-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 170195146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).