(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine

C20H21N5O — CID 99613009

IUPAC(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
SMILESCCc1nnc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)o1
InChIInChI=1S/C20H21N5O/c1-3-17-23-24-18(26-17)13-21-19(14-9-5-4-6-10-14)20-22-15-11-7-8-12-16(15)25(20)2/h4-12,19,21H,3,13H2,1-2H3/t19-/m1/s1
InChIKeyGFZHQZQJDMRRGG-LJQANCHMSA-N
MW347.42 g/mol
LogP3.40
Rot. Bonds6

About (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine

(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine (PubChem CID 99613009) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
PubChem CID99613009
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
SMILESCCc1nnc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)o1
InChIInChI=1S/C20H21N5O/c1-3-17-23-24-18(26-17)13-21-19(14-9-5-4-6-10-14)20-22-15-11-7-8-12-16(15)25(20)2/h4-12,19,21H,3,13H2,1-2H3/t19-/m1/s1
InChIKeyGFZHQZQJDMRRGG-LJQANCHMSA-N
XLogP3.40
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol
CID 95567517
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 122139558
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine
CID 97352592
1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
CID 75383078
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine (CID 99613009) is (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine is CCc1nnc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)o1.
What is the InChIKey of (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine?
The InChIKey is GFZHQZQJDMRRGG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-17-23-24-18(26-17)13-21-19(14-9-5-4-6-10-14)20-22-15-11-7-8-12-16(15)25(20)2/h4-12,19,21H,3,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine?
(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine has a molecular weight of 347.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 99613009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).