8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C15H17N5 — CID 56913226

IUPAC8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESc1ccc2[nH]c(CN3CCCn4cncc4C3)nc2c1
InChIInChI=1S/C15H17N5/c1-2-5-14-13(4-1)17-15(18-14)10-19-6-3-7-20-11-16-8-12(20)9-19/h1-2,4-5,8,11H,3,6-7,9-10H2,(H,17,18)
InChIKeyJRMAQKNORLZVIE-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.17
Rot. Bonds2

About 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 56913226) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID56913226
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESc1ccc2[nH]c(CN3CCCn4cncc4C3)nc2c1
InChIInChI=1S/C15H17N5/c1-2-5-14-13(4-1)17-15(18-14)10-19-6-3-7-20-11-16-8-12(20)9-19/h1-2,4-5,8,11H,3,6-7,9-10H2,(H,17,18)
InChIKeyJRMAQKNORLZVIE-UHFFFAOYSA-N
XLogP2.17
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine with MolForge

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Related Compounds

2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole
CID 122244910
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-(6-chloro-1H-benzimidazol-2-yl)-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)ethanone
CID 56897498
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
4-(1H-benzimidazol-2-ylmethyl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane
CID 77083956
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728

Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 56913226) is 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is c1ccc2[nH]c(CN3CCCn4cncc4C3)nc2c1.
What is the InChIKey of 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is JRMAQKNORLZVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-5-14-13(4-1)17-15(18-14)10-19-6-3-7-20-11-16-8-12(20)9-19/h1-2,4-5,8,11H,3,6-7,9-10H2,(H,17,18).
What are the key properties of 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 267.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56913226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).