N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine

C14H19N3O — CID 63001270

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
SMILESCn1c(CNC2CCOCC2)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-17-13-5-3-2-4-12(13)16-14(17)10-15-11-6-8-18-9-7-11/h2-5,11,15H,6-10H2,1H3
InChIKeyVXSTUPUERHABMS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.84
Rot. Bonds3

About N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine

N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine (PubChem CID 63001270) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
PubChem CID63001270
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
SMILESCn1c(CNC2CCOCC2)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-17-13-5-3-2-4-12(13)16-14(17)10-15-11-6-8-18-9-7-11/h2-5,11,15H,6-10H2,1H3
InChIKeyVXSTUPUERHABMS-UHFFFAOYSA-N
XLogP1.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124241
(2S,4S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475983
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
6-[(1-methylbenzimidazol-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133383519
(5R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 95177923

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine (CID 63001270) is N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine is Cn1c(CNC2CCOCC2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine?
The InChIKey is VXSTUPUERHABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-13-5-3-2-4-12(13)16-14(17)10-15-11-6-8-18-9-7-11/h2-5,11,15H,6-10H2,1H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine?
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 63001270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).