(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol

C18H21N3O — CID 111449974

IUPAC(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESCn1c(CN[C@H](CCO)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H21N3O/c1-21-17-10-6-5-9-16(17)20-18(21)13-19-15(11-12-22)14-7-3-2-4-8-14/h2-10,15,19,22H,11-13H2,1H3/t15-/m1/s1
InChIKeyZSYUUDYGSNKIEL-OAHLLOKOSA-N
MW295.39 g/mol
LogP2.79
Rot. Bonds6

About (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol

(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 111449974) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID111449974
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESCn1c(CN[C@H](CCO)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H21N3O/c1-21-17-10-6-5-9-16(17)20-18(21)13-19-15(11-12-22)14-7-3-2-4-8-14/h2-10,15,19,22H,11-13H2,1H3/t15-/m1/s1
InChIKeyZSYUUDYGSNKIEL-OAHLLOKOSA-N
XLogP2.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449850
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol (CID 111449974) is (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol is Cn1c(CN[C@H](CCO)c2ccccc2)nc2ccccc21.
What is the InChIKey of (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is ZSYUUDYGSNKIEL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21-17-10-6-5-9-16(17)20-18(21)13-19-15(11-12-22)14-7-3-2-4-8-14/h2-10,15,19,22H,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111449974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).