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

C14H16N4O — CID 64517494

IUPAC(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H16N4O/c1-18(9-13-15-6-7-16-13)14(19)12-8-10-4-2-3-5-11(10)17-12/h2-7,12,17H,8-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyFUWWIFGUKBFZTE-LBPRGKRZSA-N
MW256.31 g/mol
LogP1.40
Rot. Bonds3

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

(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 64517494) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID64517494
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H16N4O/c1-18(9-13-15-6-7-16-13)14(19)12-8-10-4-2-3-5-11(10)17-12/h2-7,12,17H,8-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyFUWWIFGUKBFZTE-LBPRGKRZSA-N
XLogP1.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 64517494) is (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FUWWIFGUKBFZTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18(9-13-15-6-7-16-13)14(19)12-8-10-4-2-3-5-11(10)17-12/h2-7,12,17H,8-9H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 64517494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).