N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide

C14H23N5O2 — CID 97390180

IUPACN-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2ncc(CN(C)C)n2CC1
InChIInChI=1S/C14H23N5O2/c1-11(20)15-9-14(21)18-5-4-13-16-8-12(10-17(2)3)19(13)7-6-18/h8H,4-7,9-10H2,1-3H3,(H,15,20)
InChIKeyQNNHEAFUTIQZLT-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.53
Rot. Bonds4

About N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide

N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide (PubChem CID 97390180) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide
PubChem CID97390180
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2ncc(CN(C)C)n2CC1
InChIInChI=1S/C14H23N5O2/c1-11(20)15-9-14(21)18-5-4-13-16-8-12(10-17(2)3)19(13)7-6-18/h8H,4-7,9-10H2,1-3H3,(H,15,20)
InChIKeyQNNHEAFUTIQZLT-UHFFFAOYSA-N
XLogP-0.53
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-N'-propylurea
CID 91923975
N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97466967
3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467065
N-cyclopropyl-3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467066
3-[[(2-Cyclopropylacetyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467200
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467210
N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
CID 97467211
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97467229
N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide
CID 97467417
N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide
CID 97467463
N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide
CID 118738960
8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide
CID 118740799

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide (CID 97390180) is N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCc2ncc(CN(C)C)n2CC1.
What is the InChIKey of N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide?
The InChIKey is QNNHEAFUTIQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(20)15-9-14(21)18-5-4-13-16-8-12(10-17(2)3)19(13)7-6-18/h8H,4-7,9-10H2,1-3H3,(H,15,20).
What are the key properties of N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide?
N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 97390180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).