4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide

C19H26N4O2 — CID 120937859

IUPAC4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CCOCC1
InChIInChI=1S/C19H26N4O2/c20-13-19(7-10-25-11-8-19)18(24)21-14-5-6-16-15(12-14)22-17-4-2-1-3-9-23(16)17/h5-6,12H,1-4,7-11,13,20H2,(H,21,24)
InChIKeyIJVHJWLPHFROJE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.46
Rot. Bonds3

About 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide (PubChem CID 120937859) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide
PubChem CID120937859
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CCOCC1
InChIInChI=1S/C19H26N4O2/c20-13-19(7-10-25-11-8-19)18(24)21-14-5-6-16-15(12-14)22-17-4-2-1-3-9-23(16)17/h5-6,12H,1-4,7-11,13,20H2,(H,21,24)
InChIKeyIJVHJWLPHFROJE-UHFFFAOYSA-N
XLogP2.46
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide with MolForge

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Related Compounds

2-methylsulfanyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 17434505
(2S)-2-cyano-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)spiro[2.4]heptane-2-carboxamide
CID 129347182
(2S)-2-amino-4-methyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)pentanamide;dihydrochloride
CID 119829323
2-(methylamino)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide;hydrochloride
CID 120703565
4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939893
4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
CID 120932205
4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
CID 120931223
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 26291153
2-(3,4-difluorophenyl)sulfanyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 18278427
4-(aminomethyl)-N-(3-pyrrolidin-1-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939637
2-bromo-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 40704476
4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 16552567

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide (CID 120937859) is 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide is NCC1(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide?
The InChIKey is IJVHJWLPHFROJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-13-19(7-10-25-11-8-19)18(24)21-14-5-6-16-15(12-14)22-17-4-2-1-3-9-23(16)17/h5-6,12H,1-4,7-11,13,20H2,(H,21,24).
What are the key properties of 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 120937859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).