4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide

C15H20N4O2 — CID 120939430

IUPAC4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2nc3ccccc3[nH]2)CCOCC1
InChIInChI=1S/C15H20N4O2/c16-10-15(5-7-21-8-6-15)14(20)17-9-13-18-11-3-1-2-4-12(11)19-13/h1-4H,5-10,16H2,(H,17,20)(H,18,19)
InChIKeyXYPGLROIBRLHFD-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.93
Rot. Bonds4

About 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide

4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide (PubChem CID 120939430) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide
PubChem CID120939430
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2nc3ccccc3[nH]2)CCOCC1
InChIInChI=1S/C15H20N4O2/c16-10-15(5-7-21-8-6-15)14(20)17-9-13-18-11-3-1-2-4-12(11)19-13/h1-4H,5-10,16H2,(H,17,20)(H,18,19)
InChIKeyXYPGLROIBRLHFD-UHFFFAOYSA-N
XLogP0.93
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[4-(1H-benzimidazol-2-yl)phenyl]oxane-4-carboxamide
CID 120937714
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051
4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120932270
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 47880329
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115442160
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide (CID 120939430) is 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide is NCC1(C(=O)NCc2nc3ccccc3[nH]2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is XYPGLROIBRLHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-10-15(5-7-21-8-6-15)14(20)17-9-13-18-11-3-1-2-4-12(11)19-13/h1-4H,5-10,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 120939430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).