2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine

C22H21N5 — CID 67096011

IUPAC2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
SMILESc1ccc2c(c1)CC[C@H]2Nc1ccc2c(NCc3ncc[nH]3)cccc2n1
InChIInChI=1S/C22H21N5/c1-2-5-16-15(4-1)8-10-20(16)27-21-11-9-17-18(6-3-7-19(17)26-21)25-14-22-23-12-13-24-22/h1-7,9,11-13,20,25H,8,10,14H2,(H,23,24)(H,26,27)/t20-/m1/s1
InChIKeyJFQIHMVSBDOTSH-HXUWFJFHSA-N
MW355.45 g/mol
LogP4.67
Rot. Bonds5

About 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine

2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine (PubChem CID 67096011) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
PubChem CID67096011
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
SMILESc1ccc2c(c1)CC[C@H]2Nc1ccc2c(NCc3ncc[nH]3)cccc2n1
InChIInChI=1S/C22H21N5/c1-2-5-16-15(4-1)8-10-20(16)27-21-11-9-17-18(6-3-7-19(17)26-21)25-14-22-23-12-13-24-22/h1-7,9,11-13,20,25H,8,10,14H2,(H,23,24)(H,26,27)/t20-/m1/s1
InChIKeyJFQIHMVSBDOTSH-HXUWFJFHSA-N
XLogP4.67
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine?
The IUPAC name of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine (CID 67096011) is 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine.
What is the SMILES notation for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine?
The canonical SMILES for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine is c1ccc2c(c1)CC[C@H]2Nc1ccc2c(NCc3ncc[nH]3)cccc2n1.
What is the InChIKey of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine?
The InChIKey is JFQIHMVSBDOTSH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-5-16-15(4-1)8-10-20(16)27-21-11-9-17-18(6-3-7-19(17)26-21)25-14-22-23-12-13-24-22/h1-7,9,11-13,20,25H,8,10,14H2,(H,23,24)(H,26,27)/t20-/m1/s1.
What are the key properties of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine?
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine has a molecular weight of 355.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine is sourced from PubChem (CID 67096011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).