[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone

C22H29N5O — CID 155917339

IUPAC[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
SMILESO=C(c1cn2c(n1)CCNCC2)N1CCCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H29N5O/c28-22(20-16-27-11-8-23-7-6-21(27)24-20)26-10-3-9-25(12-13-26)19-14-17-4-1-2-5-18(17)15-19/h1-2,4-5,16,19,23H,3,6-15H2
InChIKeyKLMJGCUHKLGBFB-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.34
Rot. Bonds2

About [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone

[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone (PubChem CID 155917339) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
PubChem CID155917339
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
SMILESO=C(c1cn2c(n1)CCNCC2)N1CCCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H29N5O/c28-22(20-16-27-11-8-23-7-6-21(27)24-20)26-10-3-9-25(12-13-26)19-14-17-4-1-2-5-18(17)15-19/h1-2,4-5,16,19,23H,3,6-15H2
InChIKeyKLMJGCUHKLGBFB-UHFFFAOYSA-N
XLogP1.34
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone with MolForge

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Related Compounds

pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155915231
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 70716580
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 118777555
[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone;dihydrochloride
CID 163341429
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone
CID 131928639
6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 155507797
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinoxalin-6-ylmethanone
CID 91836378
1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 22648168
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone;dihydrochloride
CID 155941001
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone
CID 70774943

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone (CID 155917339) is [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone is O=C(c1cn2c(n1)CCNCC2)N1CCCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone?
The InChIKey is KLMJGCUHKLGBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(20-16-27-11-8-23-7-6-21(27)24-20)26-10-3-9-25(12-13-26)19-14-17-4-1-2-5-18(17)15-19/h1-2,4-5,16,19,23H,3,6-15H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone?
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone is sourced from PubChem (CID 155917339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).