3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine

C16H21N5 — CID 119110505

IUPAC3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
SMILESCC(CNCc1nc2ccccc2n1C)Cn1ccnc1
InChIInChI=1S/C16H21N5/c1-13(11-21-8-7-17-12-21)9-18-10-16-19-14-5-3-4-6-15(14)20(16)2/h3-8,12-13,18H,9-11H2,1-2H3
InChIKeyGFCQOQBWODWIKD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.20
Rot. Bonds6

About 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine

3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine (PubChem CID 119110505) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
PubChem CID119110505
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
SMILESCC(CNCc1nc2ccccc2n1C)Cn1ccnc1
InChIInChI=1S/C16H21N5/c1-13(11-21-8-7-17-12-21)9-18-10-16-19-14-5-3-4-6-15(14)20(16)2/h3-8,12-13,18H,9-11H2,1-2H3
InChIKeyGFCQOQBWODWIKD-UHFFFAOYSA-N
XLogP2.20
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122360
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
3-imidazol-1-yl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595640
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78923351
3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750882
N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641544
(2S)-N-[(6-fluoroquinolin-8-yl)methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 97226513

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine (CID 119110505) is 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine is CC(CNCc1nc2ccccc2n1C)Cn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is GFCQOQBWODWIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-13(11-21-8-7-17-12-21)9-18-10-16-19-14-5-3-4-6-15(14)20(16)2/h3-8,12-13,18H,9-11H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 119110505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).