1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine

C21H23N5 — CID 131931893

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine
SMILESCc1ccc(-n2cccn2)c(CNCc2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C21H23N5/c1-15-5-7-20(26-10-4-9-23-26)18(11-15)14-22-13-17-6-8-21-19(12-17)24-16(2)25(21)3/h4-12,22H,13-14H2,1-3H3
InChIKeyDTDFYAVBHJFLBS-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.67
Rot. Bonds5

About 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine

1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine (PubChem CID 131931893) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine
PubChem CID131931893
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine
SMILESCc1ccc(-n2cccn2)c(CNCc2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C21H23N5/c1-15-5-7-20(26-10-4-9-23-26)18(11-15)14-22-13-17-6-8-21-19(12-17)24-16(2)25(21)3/h4-12,22H,13-14H2,1-3H3
InChIKeyDTDFYAVBHJFLBS-UHFFFAOYSA-N
XLogP3.67
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
CID 131921133
1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
CID 115135940
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115135338
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705
N-(3-methylphenyl)-3-[(5-methyl-2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 131919574
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115130198

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine (CID 131931893) is 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine is Cc1ccc(-n2cccn2)c(CNCc2ccc3c(c2)nc(C)n3C)c1.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine?
The InChIKey is DTDFYAVBHJFLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-15-5-7-20(26-10-4-9-23-26)18(11-15)14-22-13-17-6-8-21-19(12-17)24-16(2)25(21)3/h4-12,22H,13-14H2,1-3H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine?
1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine has a molecular weight of 345.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]methanamine is sourced from PubChem (CID 131931893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).