6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

C19H21F3N6 — CID 118709832

IUPAC6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
SMILESCN1CCN(Cc2ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c2)CC1
InChIInChI=1S/C19H21F3N6/c1-27-6-8-28(9-7-27)12-13-2-4-15-16(10-13)25-18(24-15)26-17-5-3-14(11-23-17)19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H2,23,24,25,26)
InChIKeyKXMCAKNRZYTIQI-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.47
Rot. Bonds4

About 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 118709832) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID118709832
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC Name6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
SMILESCN1CCN(Cc2ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c2)CC1
InChIInChI=1S/C19H21F3N6/c1-27-6-8-28(9-7-27)12-13-2-4-15-16(10-13)25-18(24-15)26-17-5-3-14(11-23-17)19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H2,23,24,25,26)
InChIKeyKXMCAKNRZYTIQI-UHFFFAOYSA-N
XLogP3.47
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11979
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CID 53262401
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CID 247635
CID 247635
CID 51371303
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CID 44177328
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CID 9806182
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CID 5025739
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CID 70821
CID 70821

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (CID 118709832) is 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is CN1CCN(Cc2ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c2)CC1.
What is the InChIKey of 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is KXMCAKNRZYTIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c1-27-6-8-28(9-7-27)12-13-2-4-15-16(10-13)25-18(24-15)26-17-5-3-14(11-23-17)19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H2,23,24,25,26).
What are the key properties of 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 390.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperazin-1-yl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 118709832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).