N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

C14H17N5 — CID 78923351

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2nc3ccccc3n2C)n1
InChIInChI=1S/C14H17N5/c1-18-8-7-11(17-18)9-15-10-14-16-12-5-3-4-6-13(12)19(14)2/h3-8,15H,9-10H2,1-2H3
InChIKeyKHSJRTQFGWGJEP-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.60
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 78923351) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID78923351
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2nc3ccccc3n2C)n1
InChIInChI=1S/C14H17N5/c1-18-8-7-11(17-18)9-15-10-14-16-12-5-3-4-6-13(12)19(14)2/h3-8,15H,9-10H2,1-2H3
InChIKeyKHSJRTQFGWGJEP-UHFFFAOYSA-N
XLogP1.60
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methylpyrazin-2-yl)methanamine
CID 63756235
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681
1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78921551
1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 55028090
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
N'-cyclopropyl-N'-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641500
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 78923351) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(CNCc2nc3ccccc3n2C)n1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is KHSJRTQFGWGJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-18-8-7-11(17-18)9-15-10-14-16-12-5-3-4-6-13(12)19(14)2/h3-8,15H,9-10H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 78923351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).