1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one

C19H29N5O — CID 131682161

IUPAC1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(C)N(C)CC1CN(C(=O)CCc2ccc[nH]2)Cc2nccn2C1
InChIInChI=1S/C19H29N5O/c1-15(2)22(3)11-16-12-23-10-9-21-18(23)14-24(13-16)19(25)7-6-17-5-4-8-20-17/h4-5,8-10,15-16,20H,6-7,11-14H2,1-3H3
InChIKeyVPIJEOPLFMXFHD-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.14
Rot. Bonds6

About 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one

1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 131682161) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one
PubChem CID131682161
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(C)N(C)CC1CN(C(=O)CCc2ccc[nH]2)Cc2nccn2C1
InChIInChI=1S/C19H29N5O/c1-15(2)22(3)11-16-12-23-10-9-21-18(23)14-24(13-16)19(25)7-6-17-5-4-8-20-17/h4-5,8-10,15-16,20H,6-7,11-14H2,1-3H3
InChIKeyVPIJEOPLFMXFHD-UHFFFAOYSA-N
XLogP2.14
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one (CID 131682161) is 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one is CC(C)N(C)CC1CN(C(=O)CCc2ccc[nH]2)Cc2nccn2C1.
What is the InChIKey of 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is VPIJEOPLFMXFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15(2)22(3)11-16-12-23-10-9-21-18(23)14-24(13-16)19(25)7-6-17-5-4-8-20-17/h4-5,8-10,15-16,20H,6-7,11-14H2,1-3H3.
What are the key properties of 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one?
1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 343.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 131682161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).