(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine

C19H25N5O — CID 129483407

IUPAC(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
SMILESCn1ccnc1[C@H](NCc1ccc2c(c1)ncn2C)C1CCOCC1
InChIInChI=1S/C19H25N5O/c1-23-8-7-20-19(23)18(15-5-9-25-10-6-15)21-12-14-3-4-17-16(11-14)22-13-24(17)2/h3-4,7-8,11,13,15,18,21H,5-6,9-10,12H2,1-2H3/t18-/m1/s1
InChIKeyGGRQXZYZCYSNNZ-GOSISDBHSA-N
MW339.44 g/mol
LogP2.56
Rot. Bonds5

About (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine

(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine (PubChem CID 129483407) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
PubChem CID129483407
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
SMILESCn1ccnc1[C@H](NCc1ccc2c(c1)ncn2C)C1CCOCC1
InChIInChI=1S/C19H25N5O/c1-23-8-7-20-19(23)18(15-5-9-25-10-6-15)21-12-14-3-4-17-16(11-14)22-13-24(17)2/h3-4,7-8,11,13,15,18,21H,5-6,9-10,12H2,1-2H3/t18-/m1/s1
InChIKeyGGRQXZYZCYSNNZ-GOSISDBHSA-N
XLogP2.56
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]benzonitrile
CID 128976489
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483597
(1R)-1-(1-methylimidazol-2-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 100706227
(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 129483872
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 128976525
(1S)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483478
1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine
CID 128976689
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
4-[[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 128969600
4-[[[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-2-methoxybenzonitrile
CID 129483498
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988102
1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 154736699

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The IUPAC name of (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine (CID 129483407) is (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine is Cn1ccnc1[C@H](NCc1ccc2c(c1)ncn2C)C1CCOCC1.
What is the InChIKey of (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The InChIKey is GGRQXZYZCYSNNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23-8-7-20-19(23)18(15-5-9-25-10-6-15)21-12-14-3-4-17-16(11-14)22-13-24(17)2/h3-4,7-8,11,13,15,18,21H,5-6,9-10,12H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine has a molecular weight of 339.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 129483407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).