1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole

C16H16N4 — CID 141054852

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole
SMILESc1cn(Cc2cn(-c3ccc4c(c3)CCC4)cn2)cn1
InChIInChI=1S/C16H16N4/c1-2-13-4-5-16(8-14(13)3-1)20-10-15(18-12-20)9-19-7-6-17-11-19/h4-8,10-12H,1-3,9H2
InChIKeyKDHKTUCXIQNMEZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.61
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole

1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole (PubChem CID 141054852) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole
PubChem CID141054852
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole
SMILESc1cn(Cc2cn(-c3ccc4c(c3)CCC4)cn2)cn1
InChIInChI=1S/C16H16N4/c1-2-13-4-5-16(8-14(13)3-1)20-10-15(18-12-20)9-19-7-6-17-11-19/h4-8,10-12H,1-3,9H2
InChIKeyKDHKTUCXIQNMEZ-UHFFFAOYSA-N
XLogP2.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
CID 141054781
1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
CID 23445038
4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole
CID 23445128
4-(imidazol-1-ylmethyl)-1-(4-nitrophenyl)imidazole
CID 141054735
1-[3-(1,1-difluoroethyl)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
CID 23445096
[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol
CID 23445211
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine
CID 79982536
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 86648044
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695962

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole (CID 141054852) is 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole is c1cn(Cc2cn(-c3ccc4c(c3)CCC4)cn2)cn1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole?
The InChIKey is KDHKTUCXIQNMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-13-4-5-16(8-14(13)3-1)20-10-15(18-12-20)9-19-7-6-17-11-19/h4-8,10-12H,1-3,9H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole?
1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole has a molecular weight of 264.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole is sourced from PubChem (CID 141054852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).