N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine

C15H19N5 — CID 75434623

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCc2cn[nH]c2C)nc2ccccc21
InChIInChI=1S/C15H19N5/c1-3-8-20-14-7-5-4-6-13(14)18-15(20)16-9-12-10-17-19-11(12)2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDCAVGUDFESCXPT-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.09
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine (PubChem CID 75434623) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
PubChem CID75434623
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCc2cn[nH]c2C)nc2ccccc21
InChIInChI=1S/C15H19N5/c1-3-8-20-14-7-5-4-6-13(14)18-15(20)16-9-12-10-17-19-11(12)2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDCAVGUDFESCXPT-UHFFFAOYSA-N
XLogP3.09
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786
1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 86782857
N-(1H-indol-3-ylmethyl)-1-pentylbenzimidazol-2-amine
CID 4205346
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine
CID 978261
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine
CID 103868375
2-[[[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]amino]methyl]phenolate
CID 1399055
1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 4265206
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2,4-dibromo-6-[[(1-butylbenzimidazol-2-yl)amino]methyl]phenol
CID 3736134

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine (CID 75434623) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine is CCCn1c(NCc2cn[nH]c2C)nc2ccccc21.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine?
The InChIKey is DCAVGUDFESCXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-8-20-14-7-5-4-6-13(14)18-15(20)16-9-12-10-17-19-11(12)2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 75434623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).