N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide

C19H16N4O — CID 170195033

IUPACN-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)Nc3c[nH]c4ccccc34)[nH]2)cc1
InChIInChI=1S/C19H16N4O/c1-12-6-8-13(9-7-12)18-21-11-17(22-18)19(24)23-16-10-20-15-5-3-2-4-14(15)16/h2-11,20H,1H3,(H,21,22)(H,23,24)
InChIKeyPVPCIRSZZACJEE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.12
Rot. Bonds3

About N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide

N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 170195033) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide
PubChem CID170195033
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)Nc3c[nH]c4ccccc34)[nH]2)cc1
InChIInChI=1S/C19H16N4O/c1-12-6-8-13(9-7-12)18-21-11-17(22-18)19(24)23-16-10-20-15-5-3-2-4-14(15)16/h2-11,20H,1H3,(H,21,22)(H,23,24)
InChIKeyPVPCIRSZZACJEE-UHFFFAOYSA-N
XLogP4.12
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide (CID 170195033) is N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide is Cc1ccc(-c2ncc(C(=O)Nc3c[nH]c4ccccc34)[nH]2)cc1.
What is the InChIKey of N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is PVPCIRSZZACJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-6-8-13(9-7-12)18-21-11-17(22-18)19(24)23-16-10-20-15-5-3-2-4-14(15)16/h2-11,20H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide?
N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 170195033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).