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

C13H14N4O — CID 80567109

IUPACN-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CNc2ccccc21
InChIInChI=1S/C13H14N4O/c18-13(17-8-12-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11/h1-6,10,16H,7-8H2,(H,14,15)(H,17,18)
InChIKeyYCQYPZCTKGQKPE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.24
Rot. Bonds3

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

N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80567109) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80567109
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CNc2ccccc21
InChIInChI=1S/C13H14N4O/c18-13(17-8-12-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11/h1-6,10,16H,7-8H2,(H,14,15)(H,17,18)
InChIKeyYCQYPZCTKGQKPE-UHFFFAOYSA-N
XLogP1.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80567109) is N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCc1ncc[nH]1)C1CNc2ccccc21.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is YCQYPZCTKGQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(17-8-12-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11/h1-6,10,16H,7-8H2,(H,14,15)(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80567109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).