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

C14H20N6O — CID 97467228

IUPAC1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide
SMILESCN1CCc2ncc(CNC(=O)c3nccn3C)n2CC1
InChIInChI=1S/C14H20N6O/c1-18-5-3-12-16-9-11(20(12)8-7-18)10-17-14(21)13-15-4-6-19(13)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,17,21)
InChIKeyDNJKBMQSMURYDB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.03
Rot. Bonds3

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

1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide (PubChem CID 97467228) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide
PubChem CID97467228
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide
SMILESCN1CCc2ncc(CNC(=O)c3nccn3C)n2CC1
InChIInChI=1S/C14H20N6O/c1-18-5-3-12-16-9-11(20(12)8-7-18)10-17-14(21)13-15-4-6-19(13)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,17,21)
InChIKeyDNJKBMQSMURYDB-UHFFFAOYSA-N
XLogP0.03
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide (CID 97467228) is 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide is CN1CCc2ncc(CNC(=O)c3nccn3C)n2CC1.
What is the InChIKey of 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide?
The InChIKey is DNJKBMQSMURYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-18-5-3-12-16-9-11(20(12)8-7-18)10-17-14(21)13-15-4-6-19(13)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide?
1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide is sourced from PubChem (CID 97467228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).