4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride

C17H26Cl2N4O2 — CID 120941797

IUPAC4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
SMILESCN(Cc1nc2ccccc2n1C)C(=O)C1(CN)CCOCC1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-20(16(22)17(12-18)7-9-23-10-8-17)11-15-19-13-5-3-4-6-14(13)21(15)2;;/h3-6H,7-12,18H2,1-2H3;2*1H
InChIKeyHKPHZHNUABUJHZ-UHFFFAOYSA-N
MW389.33 g/mol
LogP2.13
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120941797) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120941797
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Name4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
SMILESCN(Cc1nc2ccccc2n1C)C(=O)C1(CN)CCOCC1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-20(16(22)17(12-18)7-9-23-10-8-17)11-15-19-13-5-3-4-6-14(13)21(15)2;;/h3-6H,7-12,18H2,1-2H3;2*1H
InChIKeyHKPHZHNUABUJHZ-UHFFFAOYSA-N
XLogP2.13
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxane-4-carboxamide
CID 63013244
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 120938284
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115452760
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride (CID 120941797) is 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride is CN(Cc1nc2ccccc2n1C)C(=O)C1(CN)CCOCC1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is HKPHZHNUABUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2ClH/c1-20(16(22)17(12-18)7-9-23-10-8-17)11-15-19-13-5-3-4-6-14(13)21(15)2;;/h3-6H,7-12,18H2,1-2H3;2*1H.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 389.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120941797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).