N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide

C19H22N6O — CID 155495465

IUPACN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1cn2c(n1)CCNCC2
InChIInChI=1S/C19H22N6O/c1-14-21-9-11-25(14)17-5-3-2-4-15(17)12-22-19(26)16-13-24-10-8-20-7-6-18(24)23-16/h2-5,9,11,13,20H,6-8,10,12H2,1H3,(H,22,26)
InChIKeyPYAZUVUHTYRIAX-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.45
Rot. Bonds4

About N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155495465) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155495465
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1cn2c(n1)CCNCC2
InChIInChI=1S/C19H22N6O/c1-14-21-9-11-25(14)17-5-3-2-4-15(17)12-22-19(26)16-13-24-10-8-20-7-6-18(24)23-16/h2-5,9,11,13,20H,6-8,10,12H2,1H3,(H,22,26)
InChIKeyPYAZUVUHTYRIAX-UHFFFAOYSA-N
XLogP1.45
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155971749
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
CID 157015631
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155917461
N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155972943
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 48735006
N-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155498932
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72936219
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155939061
N-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838021
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56720584

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155495465) is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide is Cc1nccn1-c1ccccc1CNC(=O)c1cn2c(n1)CCNCC2.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is PYAZUVUHTYRIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-21-9-11-25(14)17-5-3-2-4-15(17)12-22-19(26)16-13-24-10-8-20-7-6-18(24)23-16/h2-5,9,11,13,20H,6-8,10,12H2,1H3,(H,22,26).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155495465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).