3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol

C22H21N3O — CID 95567517

IUPAC3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol
SMILESCn1c([C@H](NCc2cccc(O)c2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H21N3O/c1-25-20-13-6-5-12-19(20)24-22(25)21(17-9-3-2-4-10-17)23-15-16-8-7-11-18(26)14-16/h2-14,21,23,26H,15H2,1H3/t21-/m1/s1
InChIKeyOHVYJPGVCLFGFB-OAQYLSRUSA-N
MW343.43 g/mol
LogP4.16
Rot. Bonds5

About 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol

3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol (PubChem CID 95567517) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol
PubChem CID95567517
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol
SMILESCn1c([C@H](NCc2cccc(O)c2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H21N3O/c1-25-20-13-6-5-12-19(20)24-22(25)21(17-9-3-2-4-10-17)23-15-16-8-7-11-18(26)14-16/h2-14,21,23,26H,15H2,1H3/t21-/m1/s1
InChIKeyOHVYJPGVCLFGFB-OAQYLSRUSA-N
XLogP4.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 95567515
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 99613009
(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide
CID 96535378
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 122139558
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894

Frequently Asked Questions

What is the IUPAC name of 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol?
The IUPAC name of 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol (CID 95567517) is 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol is Cn1c([C@H](NCc2cccc(O)c2)c2ccccc2)nc2ccccc21.
What is the InChIKey of 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol?
The InChIKey is OHVYJPGVCLFGFB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21N3O/c1-25-20-13-6-5-12-19(20)24-22(25)21(17-9-3-2-4-10-17)23-15-16-8-7-11-18(26)14-16/h2-14,21,23,26H,15H2,1H3/t21-/m1/s1.
What are the key properties of 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol?
3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol has a molecular weight of 343.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol is sourced from PubChem (CID 95567517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).