2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H19N7 — CID 56918787

IUPAC2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cc(-c2cnc[nH]2)cc(-n2ccnc2-c2cc3n(n2)CCCNC3)c1
InChIInChI=1S/C19H19N7/c1-3-14(18-12-21-13-23-18)9-15(4-1)25-8-6-22-19(25)17-10-16-11-20-5-2-7-26(16)24-17/h1,3-4,6,8-10,12-13,20H,2,5,7,11H2,(H,21,23)
InChIKeyUIKCLKWPGIEDIM-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56918787) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56918787
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cc(-c2cnc[nH]2)cc(-n2ccnc2-c2cc3n(n2)CCCNC3)c1
InChIInChI=1S/C19H19N7/c1-3-14(18-12-21-13-23-18)9-15(4-1)25-8-6-22-19(25)17-10-16-11-20-5-2-7-26(16)24-17/h1,3-4,6,8-10,12-13,20H,2,5,7,11H2,(H,21,23)
InChIKeyUIKCLKWPGIEDIM-UHFFFAOYSA-N
XLogP2.62
TPSA76.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]phenyl]-1,3,4-thiadiazole
CID 70754023
2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70765573
2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56883632
2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154893483
N-phenyl-5-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]pyridin-2-amine;hydrochloride
CID 154894176
2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70770666
2-[1-(9H-fluoren-2-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154894546
2-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70732336
5-methoxy-6-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154894726
1-[2-methyl-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 154894027
6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 154894085
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56918787) is 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is c1cc(-c2cnc[nH]2)cc(-n2ccnc2-c2cc3n(n2)CCCNC3)c1.
What is the InChIKey of 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is UIKCLKWPGIEDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-3-14(18-12-21-13-23-18)9-15(4-1)25-8-6-22-19(25)17-10-16-11-20-5-2-7-26(16)24-17/h1,3-4,6,8-10,12-13,20H,2,5,7,11H2,(H,21,23).
What are the key properties of 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 345.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56918787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).