N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

C16H19N5 — CID 115530552

IUPACN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)c1ccnc(C)n1
InChIInChI=1S/C16H19N5/c1-11-18-9-8-12(19-11)14(17-2)10-16-20-13-6-4-5-7-15(13)21(16)3/h4-9,14,17H,10H2,1-3H3
InChIKeyQMFIXNLEESNSBK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530552) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530552
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)c1ccnc(C)n1
InChIInChI=1S/C16H19N5/c1-11-18-9-8-12(19-11)14(17-2)10-16-20-13-6-4-5-7-15(13)21(16)3/h4-9,14,17H,10H2,1-3H3
InChIKeyQMFIXNLEESNSBK-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79750104
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878188
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105164834
1-(furan-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750479
1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 106858090
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82896332
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79750179
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105164915
N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750625
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 79756296

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530552) is N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is CNC(Cc1nc2ccccc2n1C)c1ccnc(C)n1.
What is the InChIKey of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is QMFIXNLEESNSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-18-9-8-12(19-11)14(17-2)10-16-20-13-6-4-5-7-15(13)21(16)3/h4-9,14,17H,10H2,1-3H3.
What are the key properties of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).