N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine

C13H19N3 — CID 43190090

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C13H19N3/c1-9(2)14-10(3)13-15-11-7-5-6-8-12(11)16(13)4/h5-10,14H,1-4H3
InChIKeyQVCCOMSRDSYFMU-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.63
Rot. Bonds3

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine

N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine (PubChem CID 43190090) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
PubChem CID43190090
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C13H19N3/c1-9(2)14-10(3)13-15-11-7-5-6-8-12(11)16(13)4/h5-10,14H,1-4H3
InChIKeyQVCCOMSRDSYFMU-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
1-(1-methylbenzimidazol-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703094
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
CID 110931079
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492
3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile
CID 62647635

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine (CID 43190090) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine is CC(C)NC(C)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is QVCCOMSRDSYFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)14-10(3)13-15-11-7-5-6-8-12(11)16(13)4/h5-10,14H,1-4H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43190090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).