N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide

C24H20N4O — CID 134133695

IUPACN-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide
SMILESCc1cn(-c2ccc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2)cn1
InChIInChI=1S/C24H20N4O/c1-16-14-28(15-26-16)19-9-6-17(7-10-19)13-25-24(29)18-8-11-21-20-4-2-3-5-22(20)27-23(21)12-18/h2-12,14-15,27H,13H2,1H3,(H,25,29)
InChIKeyMGXVONZFTJNWBX-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.75
Rot. Bonds4

About N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide

N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide (PubChem CID 134133695) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide
PubChem CID134133695
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC NameN-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide
SMILESCc1cn(-c2ccc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2)cn1
InChIInChI=1S/C24H20N4O/c1-16-14-28(15-26-16)19-9-6-17(7-10-19)13-25-24(29)18-8-11-21-20-4-2-3-5-22(20)27-23(21)12-18/h2-12,14-15,27H,13H2,1H3,(H,25,29)
InChIKeyMGXVONZFTJNWBX-UHFFFAOYSA-N
XLogP4.75
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide?
The IUPAC name of N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide (CID 134133695) is N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide.
What is the SMILES notation for N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide?
The canonical SMILES for N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide is Cc1cn(-c2ccc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2)cn1.
What is the InChIKey of N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide?
The InChIKey is MGXVONZFTJNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16-14-28(15-26-16)19-9-6-17(7-10-19)13-25-24(29)18-8-11-21-20-4-2-3-5-22(20)27-23(21)12-18/h2-12,14-15,27H,13H2,1H3,(H,25,29).
What are the key properties of N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide?
N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide is sourced from PubChem (CID 134133695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).