N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide

C23H18N4O — CID 134156801

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C23H18N4O/c28-23(25-14-16-5-8-18(9-6-16)27-12-11-24-15-27)17-7-10-20-19-3-1-2-4-21(19)26-22(20)13-17/h1-13,15,26H,14H2,(H,25,28)
InChIKeySUODFEDGMQFBNQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.44
Rot. Bonds4

About N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide

N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide (PubChem CID 134156801) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide
PubChem CID134156801
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C23H18N4O/c28-23(25-14-16-5-8-18(9-6-16)27-12-11-24-15-27)17-7-10-20-19-3-1-2-4-21(19)26-22(20)13-17/h1-13,15,26H,14H2,(H,25,28)
InChIKeySUODFEDGMQFBNQ-UHFFFAOYSA-N
XLogP4.44
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide (CID 134156801) is N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide is O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide?
The InChIKey is SUODFEDGMQFBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-23(25-14-16-5-8-18(9-6-16)27-12-11-24-15-27)17-7-10-20-19-3-1-2-4-21(19)26-22(20)13-17/h1-13,15,26H,14H2,(H,25,28).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide?
N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-9H-carbazole-2-carboxamide is sourced from PubChem (CID 134156801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).