4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol

C19H23N3O — CID 111449850

IUPAC4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
SMILESCn1c(CNC(CCCO)c2ccccc2)nc2ccccc21
InChIInChI=1S/C19H23N3O/c1-22-18-12-6-5-10-17(18)21-19(22)14-20-16(11-7-13-23)15-8-3-2-4-9-15/h2-6,8-10,12,16,20,23H,7,11,13-14H2,1H3
InChIKeyIWWRDMRHKSIMGF-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.18
Rot. Bonds7

About 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol

4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol (PubChem CID 111449850) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
PubChem CID111449850
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
SMILESCn1c(CNC(CCCO)c2ccccc2)nc2ccccc21
InChIInChI=1S/C19H23N3O/c1-22-18-12-6-5-10-17(18)21-19(22)14-20-16(11-7-13-23)15-8-3-2-4-9-15/h2-6,8-10,12,16,20,23H,7,11,13-14H2,1H3
InChIKeyIWWRDMRHKSIMGF-UHFFFAOYSA-N
XLogP3.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
CID 111467260
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
(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
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
2-(4-bromo-4-phenylbutyl)-1-methylbenzimidazole
CID 79757624
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol (CID 111449850) is 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol is Cn1c(CNC(CCCO)c2ccccc2)nc2ccccc21.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol?
The InChIKey is IWWRDMRHKSIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-22-18-12-6-5-10-17(18)21-19(22)14-20-16(11-7-13-23)15-8-3-2-4-9-15/h2-6,8-10,12,16,20,23H,7,11,13-14H2,1H3.
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol?
4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol has a molecular weight of 309.41 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol is sourced from PubChem (CID 111449850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).