N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide

C14H14N4O — CID 63939451

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N4O/c1-18(9-13-15-6-7-16-13)14(19)11-8-17-12-5-3-2-4-10(11)12/h2-8,17H,9H2,1H3,(H,15,16)
InChIKeySVTSHAIPQTYSGA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.16
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide (PubChem CID 63939451) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
PubChem CID63939451
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N4O/c1-18(9-13-15-6-7-16-13)14(19)11-8-17-12-5-3-2-4-10(11)12/h2-8,17H,9H2,1H3,(H,15,16)
InChIKeySVTSHAIPQTYSGA-UHFFFAOYSA-N
XLogP2.16
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996
N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 61381226
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
N-(1H-imidazol-2-ylmethyl)-N-methylquinoline-2-carboxamide
CID 63930575
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-3-carboxamide
CID 64512779
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide (CID 63939451) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide?
The InChIKey is SVTSHAIPQTYSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18(9-13-15-6-7-16-13)14(19)11-8-17-12-5-3-2-4-10(11)12/h2-8,17H,9H2,1H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 63939451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).