N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide

C18H20N4O — CID 70574636

IUPACN-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1cc(Cc2ncc[nH]2)c2ccccc21)C1CC1
InChIInChI=1S/C18H20N4O/c23-18(13-5-6-13)21-9-10-22-12-14(11-17-19-7-8-20-17)15-3-1-2-4-16(15)22/h1-4,7-8,12-13H,5-6,9-11H2,(H,19,20)(H,21,23)
InChIKeyRJIVXKUCTKVYRX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.48
Rot. Bonds6

About N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 70574636) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID70574636
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1cc(Cc2ncc[nH]2)c2ccccc21)C1CC1
InChIInChI=1S/C18H20N4O/c23-18(13-5-6-13)21-9-10-22-12-14(11-17-19-7-8-20-17)15-3-1-2-4-16(15)22/h1-4,7-8,12-13H,5-6,9-11H2,(H,19,20)(H,21,23)
InChIKeyRJIVXKUCTKVYRX-UHFFFAOYSA-N
XLogP2.48
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide (CID 70574636) is N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide is O=C(NCCn1cc(Cc2ncc[nH]2)c2ccccc21)C1CC1.
What is the InChIKey of N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is RJIVXKUCTKVYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(13-5-6-13)21-9-10-22-12-14(11-17-19-7-8-20-17)15-3-1-2-4-16(15)22/h1-4,7-8,12-13H,5-6,9-11H2,(H,19,20)(H,21,23).
What are the key properties of N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 70574636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).