1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide

C13H18N6O — CID 97467227

IUPAC1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCc1cnc2n1CCNCC2
InChIInChI=1S/C13H18N6O/c1-18-6-5-15-12(18)13(20)17-9-10-8-16-11-2-3-14-4-7-19(10)11/h5-6,8,14H,2-4,7,9H2,1H3,(H,17,20)
InChIKeyRZMSTCJUUSXUKI-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.31
Rot. Bonds3

About 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide

1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide (PubChem CID 97467227) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide
PubChem CID97467227
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCc1cnc2n1CCNCC2
InChIInChI=1S/C13H18N6O/c1-18-6-5-15-12(18)13(20)17-9-10-8-16-11-2-3-14-4-7-19(10)11/h5-6,8,14H,2-4,7,9H2,1H3,(H,17,20)
InChIKeyRZMSTCJUUSXUKI-UHFFFAOYSA-N
XLogP-0.31
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide (CID 97467227) is 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide is Cn1ccnc1C(=O)NCc1cnc2n1CCNCC2.
What is the InChIKey of 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide?
The InChIKey is RZMSTCJUUSXUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-18-6-5-15-12(18)13(20)17-9-10-8-16-11-2-3-14-4-7-19(10)11/h5-6,8,14H,2-4,7,9H2,1H3,(H,17,20).
What are the key properties of 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide?
1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide is sourced from PubChem (CID 97467227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).