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

C18H21N5O — CID 70768659

IUPAC2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCOc1ccccc1Cn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C18H21N5O/c1-24-17-6-3-2-5-14(17)13-22-10-8-20-18(22)16-11-15-12-19-7-4-9-23(15)21-16/h2-3,5-6,8,10-11,19H,4,7,9,12-13H2,1H3
InChIKeyQHMMXPBVYSHOFZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.30
Rot. Bonds4

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

2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 70768659) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID70768659
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCOc1ccccc1Cn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C18H21N5O/c1-24-17-6-3-2-5-14(17)13-22-10-8-20-18(22)16-11-15-12-19-7-4-9-23(15)21-16/h2-3,5-6,8,10-11,19H,4,7,9,12-13H2,1H3
InChIKeyQHMMXPBVYSHOFZ-UHFFFAOYSA-N
XLogP2.30
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154894352
2-[1-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893169
2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70787072
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
N,N-dimethyl-1-(2-methylphenyl)-2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethanamine;dihydrochloride
CID 154895189
2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70770666
5-benzyl-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 154893561
2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910958
5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 154893385
2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95876020
N-methyl-5-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide
CID 56896868
3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 163334095

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 70768659) is 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is COc1ccccc1Cn1ccnc1-c1cc2n(n1)CCCNC2.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is QHMMXPBVYSHOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-17-6-3-2-5-14(17)13-22-10-8-20-18(22)16-11-15-12-19-7-4-9-23(15)21-16/h2-3,5-6,8,10-11,19H,4,7,9,12-13H2,1H3.
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 323.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 70768659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).