(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine

C20H19N3O — CID 95567515

IUPAC(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
SMILESCn1c([C@H](NCc2ccco2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H19N3O/c1-23-18-12-6-5-11-17(18)22-20(23)19(15-8-3-2-4-9-15)21-14-16-10-7-13-24-16/h2-13,19,21H,14H2,1H3/t19-/m1/s1
InChIKeyHEGUEMNSTXOVNC-LJQANCHMSA-N
MW317.39 g/mol
LogP4.05
Rot. Bonds5

About (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine

(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine (PubChem CID 95567515) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
PubChem CID95567515
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
SMILESCn1c([C@H](NCc2ccco2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H19N3O/c1-23-18-12-6-5-11-17(18)22-20(23)19(15-8-3-2-4-9-15)21-14-16-10-7-13-24-16/h2-13,19,21H,14H2,1H3/t19-/m1/s1
InChIKeyHEGUEMNSTXOVNC-LJQANCHMSA-N
XLogP4.05
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 99613009
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol
CID 95567517
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
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
N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 83961971
(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7767880
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
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

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine (CID 95567515) is (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine is Cn1c([C@H](NCc2ccco2)c2ccccc2)nc2ccccc21.
What is the InChIKey of (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine?
The InChIKey is HEGUEMNSTXOVNC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23-18-12-6-5-11-17(18)22-20(23)19(15-8-3-2-4-9-15)21-14-16-10-7-13-24-16/h2-13,19,21H,14H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine?
(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine has a molecular weight of 317.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 95567515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).