1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane

C22H38N6 — CID 118422520

IUPAC1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane
SMILESCC1=CNC(C2=CC=CC(N3CCCN(C4CCN(C(C)C)CC4)CC3)N2)N1
InChIInChI=1S/C22H38N6/c1-17(2)26-12-8-19(9-13-26)27-10-5-11-28(15-14-27)21-7-4-6-20(25-21)22-23-16-18(3)24-22/h4,6-7,16-17,19,21-25H,5,8-15H2,1-3H3
InChIKeyOVYWBMAGVNDMQH-UHFFFAOYSA-N
MW386.59 g/mol
LogP1.62
Rot. Bonds4

About 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane

1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane (PubChem CID 118422520) has the molecular formula C22H38N6 and a molecular weight of 386.59 g/mol. Its IUPAC name is 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane
PubChem CID118422520
Molecular FormulaC22H38N6
Molecular Weight386.59 g/mol
Exact Mass386.32
IUPAC Name1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane
SMILESCC1=CNC(C2=CC=CC(N3CCCN(C4CCN(C(C)C)CC4)CC3)N2)N1
InChIInChI=1S/C22H38N6/c1-17(2)26-12-8-19(9-13-26)27-10-5-11-28(15-14-27)21-7-4-6-20(25-21)22-23-16-18(3)24-22/h4,6-7,16-17,19,21-25H,5,8-15H2,1-3H3
InChIKeyOVYWBMAGVNDMQH-UHFFFAOYSA-N
XLogP1.62
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane?
The IUPAC name of 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane (CID 118422520) is 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane?
The canonical SMILES for 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane is CC1=CNC(C2=CC=CC(N3CCCN(C4CCN(C(C)C)CC4)CC3)N2)N1.
What is the InChIKey of 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane?
The InChIKey is OVYWBMAGVNDMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6/c1-17(2)26-12-8-19(9-13-26)27-10-5-11-28(15-14-27)21-7-4-6-20(25-21)22-23-16-18(3)24-22/h4,6-7,16-17,19,21-25H,5,8-15H2,1-3H3.
What are the key properties of 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane?
1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane has a molecular weight of 386.59 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methyl-2,3-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridin-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 118422520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).