3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide

C14H19N7O2 — CID 97467232

IUPAC3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
SMILESCn1ccnc1C(=O)NCc1cnc2n1CCN(C(N)=O)CC2
InChIInChI=1S/C14H19N7O2/c1-19-5-3-16-12(19)13(22)18-9-10-8-17-11-2-4-20(14(15)23)6-7-21(10)11/h3,5,8H,2,4,6-7,9H2,1H3,(H2,15,23)(H,18,22)
InChIKeyVQSUZDHYYVEIII-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.52
Rot. Bonds3

About 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide

3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide (PubChem CID 97467232) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound Name3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
PubChem CID97467232
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
SMILESCn1ccnc1C(=O)NCc1cnc2n1CCN(C(N)=O)CC2
InChIInChI=1S/C14H19N7O2/c1-19-5-3-16-12(19)13(22)18-9-10-8-17-11-2-4-20(14(15)23)6-7-21(10)11/h3,5,8H,2,4,6-7,9H2,1H3,(H2,15,23)(H,18,22)
InChIKeyVQSUZDHYYVEIII-UHFFFAOYSA-N
XLogP-0.52
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide with MolForge

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Related Compounds

1H-imidazol-5-yl-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 56780023
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-methyl-1H-imidazole-4-carboxamide
CID 91923835
N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97466967
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97467229
N-[(8-acetyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrazine-2-carboxamide
CID 118738960
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide
CID 90647467
4-methyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]-1H-imidazole-2-carboxamide
CID 91781681
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1-isobutyl-1H-imidazol-5-yl)methyl]glycinamide
CID 91783805
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118745878
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 121495191
N'-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylurea diformate
CID 122560925
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-methyl-1H-imidazole-2-carboxamide
CID 124066439

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The IUPAC name of 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide (CID 97467232) is 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide.
What is the SMILES notation for 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The canonical SMILES for 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide is Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(N)=O)CC2.
What is the InChIKey of 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The InChIKey is VQSUZDHYYVEIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-19-5-3-16-12(19)13(22)18-9-10-8-17-11-2-4-20(14(15)23)6-7-21(10)11/h3,5,8H,2,4,6-7,9H2,1H3,(H2,15,23)(H,18,22).
What are the key properties of 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylimidazole-2-carbonyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 97467232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).