N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide

C22H22N4O — CID 35859565

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCc3ccc(Cn4ccnc4)cc3)[nH]c2c1
InChIInChI=1S/C22H22N4O/c1-15-9-16(2)19-11-21(25-20(19)10-15)22(27)24-12-17-3-5-18(6-4-17)13-26-8-7-23-14-26/h3-11,14,25H,12-13H2,1-2H3,(H,24,27)
InChIKeyJKOXEWLVWMQKTA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 35859565) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID35859565
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCc3ccc(Cn4ccnc4)cc3)[nH]c2c1
InChIInChI=1S/C22H22N4O/c1-15-9-16(2)19-11-21(25-20(19)10-15)22(27)24-12-17-3-5-18(6-4-17)13-26-8-7-23-14-26/h3-11,14,25H,12-13H2,1-2H3,(H,24,27)
InChIKeyJKOXEWLVWMQKTA-UHFFFAOYSA-N
XLogP3.96
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 55533564
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134032937
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426607
1-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35858767
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471213
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide (CID 35859565) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NCc3ccc(Cn4ccnc4)cc3)[nH]c2c1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is JKOXEWLVWMQKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-9-16(2)19-11-21(25-20(19)10-15)22(27)24-12-17-3-5-18(6-4-17)13-26-8-7-23-14-26/h3-11,14,25H,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 35859565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).