(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine

C16H18N4 — CID 28671585

IUPAC(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccnc1)c1nc2ccccc2n1C
InChIInChI=1S/C16H18N4/c1-12(18-11-13-6-5-9-17-10-13)16-19-14-7-3-4-8-15(14)20(16)2/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1
InChIKeyHMGOZOWRGGZWKC-LBPRGKRZSA-N
MW266.35 g/mol
LogP2.82
Rot. Bonds4

About (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine

(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 28671585) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID28671585
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccnc1)c1nc2ccccc2n1C
InChIInChI=1S/C16H18N4/c1-12(18-11-13-6-5-9-17-10-13)16-19-14-7-3-4-8-15(14)20(16)2/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1
InChIKeyHMGOZOWRGGZWKC-LBPRGKRZSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
CID 43190607
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
(2R)-3-methyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 52518088

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 28671585) is (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is C[C@H](NCc1cccnc1)c1nc2ccccc2n1C.
What is the InChIKey of (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is HMGOZOWRGGZWKC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(18-11-13-6-5-9-17-10-13)16-19-14-7-3-4-8-15(14)20(16)2/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 28671585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).