N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C14H16N4O — CID 77061490

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1Cc2ccccc2N1
InChIInChI=1S/C14H16N4O/c19-14(16-6-5-11-8-15-9-17-11)13-7-10-3-1-2-4-12(10)18-13/h1-4,8-9,13,18H,5-7H2,(H,15,17)(H,16,19)
InChIKeyBJADVMOIQYFTCQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.11
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 77061490) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID77061490
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1Cc2ccccc2N1
InChIInChI=1S/C14H16N4O/c19-14(16-6-5-11-8-15-9-17-11)13-7-10-3-1-2-4-12(10)18-13/h1-4,8-9,13,18H,5-7H2,(H,15,17)(H,16,19)
InChIKeyBJADVMOIQYFTCQ-UHFFFAOYSA-N
XLogP1.11
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 77061490) is N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCCc1cnc[nH]1)C1Cc2ccccc2N1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is BJADVMOIQYFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(16-6-5-11-8-15-9-17-11)13-7-10-3-1-2-4-12(10)18-13/h1-4,8-9,13,18H,5-7H2,(H,15,17)(H,16,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 77061490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).