N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine

C14H18N4 — CID 15453460

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine
SMILESCC(C)c1cc(NC2=NCCN2)cc2cc[nH]c12
InChIInChI=1S/C14H18N4/c1-9(2)12-8-11(18-14-16-5-6-17-14)7-10-3-4-15-13(10)12/h3-4,7-9,15H,5-6H2,1-2H3,(H2,16,17,18)
InChIKeyZJRYJXBBSDCYGD-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.66
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine (PubChem CID 15453460) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine
PubChem CID15453460
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine
SMILESCC(C)c1cc(NC2=NCCN2)cc2cc[nH]c12
InChIInChI=1S/C14H18N4/c1-9(2)12-8-11(18-14-16-5-6-17-14)7-10-3-4-15-13(10)12/h3-4,7-9,15H,5-6H2,1-2H3,(H2,16,17,18)
InChIKeyZJRYJXBBSDCYGD-UHFFFAOYSA-N
XLogP2.66
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine (CID 15453460) is N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine is CC(C)c1cc(NC2=NCCN2)cc2cc[nH]c12.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine?
The InChIKey is ZJRYJXBBSDCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9(2)12-8-11(18-14-16-5-6-17-14)7-10-3-4-15-13(10)12/h3-4,7-9,15H,5-6H2,1-2H3,(H2,16,17,18).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine has a molecular weight of 242.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-7-propan-2-yl-1H-indol-5-amine is sourced from PubChem (CID 15453460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).