(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine

C18H21N3 — CID 81351559

IUPAC(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
SMILESCC(N[C@@H](C)c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H21N3/c1-13(15-9-5-4-6-10-15)19-14(2)18-20-16-11-7-8-12-17(16)21(18)3/h4-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyWXSSEEWUJPITGM-LSLKUGRBSA-N
MW279.39 g/mol
LogP3.99
Rot. Bonds4

About (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine

(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine (PubChem CID 81351559) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
PubChem CID81351559
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
SMILESCC(N[C@@H](C)c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H21N3/c1-13(15-9-5-4-6-10-15)19-14(2)18-20-16-11-7-8-12-17(16)21(18)3/h4-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyWXSSEEWUJPITGM-LSLKUGRBSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
CID 110931079
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62841314
1-(1-methylbenzimidazol-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703094
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine (CID 81351559) is (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine is CC(N[C@@H](C)c1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine?
The InChIKey is WXSSEEWUJPITGM-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(15-9-5-4-6-10-15)19-14(2)18-20-16-11-7-8-12-17(16)21(18)3/h4-14,19H,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine?
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 81351559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).