N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide

C13H12N4O — CID 110474026

IUPACN-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
SMILESCn1ccnc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O/c1-17-7-6-14-13(17)16-12(18)11-8-9-4-2-3-5-10(9)15-11/h2-8,15H,1H3,(H,14,16,18)
InChIKeyXQELDJOLNCHLHP-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.15
Rot. Bonds2

About N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide

N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 110474026) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
PubChem CID110474026
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
SMILESCn1ccnc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O/c1-17-7-6-14-13(17)16-12(18)11-8-9-4-2-3-5-10(9)15-11/h2-8,15H,1H3,(H,14,16,18)
InChIKeyXQELDJOLNCHLHP-UHFFFAOYSA-N
XLogP2.15
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide
CID 86815562
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-indole-2-carboxamide
CID 110474039
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 46513330
N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide
CID 54006478
N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 43422742
N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1H-indole-2-carboxamide
CID 47789031
N-(4-bromo-2-pyridinyl)-1H-indole-2-carboxamide
CID 102674192
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60784651
1H-indol-2-yl-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 134075648
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690

Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide (CID 110474026) is N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide is Cn1ccnc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is XQELDJOLNCHLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17-7-6-14-13(17)16-12(18)11-8-9-4-2-3-5-10(9)15-11/h2-8,15H,1H3,(H,14,16,18).
What are the key properties of N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide?
N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 110474026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).