2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine

C16H18N4 — CID 83976139

IUPAC2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCn1c(C(CN)Cc2ccncc2)nc2ccccc21
InChIInChI=1S/C16H18N4/c1-20-15-5-3-2-4-14(15)19-16(20)13(11-17)10-12-6-8-18-9-7-12/h2-9,13H,10-11,17H2,1H3
InChIKeyJWIIUKYOBHAIBE-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.25
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine

2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 83976139) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
PubChem CID83976139
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCn1c(C(CN)Cc2ccncc2)nc2ccccc21
InChIInChI=1S/C16H18N4/c1-20-15-5-3-2-4-14(15)19-16(20)13(11-17)10-12-6-8-18-9-7-12/h2-9,13H,10-11,17H2,1H3
InChIKeyJWIIUKYOBHAIBE-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
CID 83976113
2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83976141
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
CID 83976122
2-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
CID 114793236
[1-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212470
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
CID 110204364
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202
(2S)-2-(1-methylbenzimidazol-2-yl)-3-phenylpropane-1-thiol;2,2,2-trifluoroacetic acid
CID 11165380
3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
CID 83976218
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine (CID 83976139) is 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine is Cn1c(C(CN)Cc2ccncc2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is JWIIUKYOBHAIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20-15-5-3-2-4-14(15)19-16(20)13(11-17)10-12-6-8-18-9-7-12/h2-9,13H,10-11,17H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine?
2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 83976139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).