N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide

C15H16N4O — CID 63718786

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H16N4O/c1-18-8-7-17-14(18)10-19(2)15(20)12-3-4-13-11(9-12)5-6-16-13/h3-9,16H,10H2,1-2H3
InChIKeyYRKZWNRXXSKAGF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.17
Rot. Bonds3

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide (PubChem CID 63718786) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide
PubChem CID63718786
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H16N4O/c1-18-8-7-17-14(18)10-19(2)15(20)12-3-4-13-11(9-12)5-6-16-13/h3-9,16H,10H2,1-2H3
InChIKeyYRKZWNRXXSKAGF-UHFFFAOYSA-N
XLogP2.17
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61115484
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 60666102
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116844
N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-indole-5-carboxamide
CID 129332728
4-(1,3-dithiolan-2-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 86908152
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
CID 63717490
N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 86908163
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1H-indole-5-carboxamide
CID 63719157
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide (CID 63718786) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide is CN(Cc1nccn1C)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide?
The InChIKey is YRKZWNRXXSKAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-18-8-7-17-14(18)10-19(2)15(20)12-3-4-13-11(9-12)5-6-16-13/h3-9,16H,10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 63718786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).