[6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C18H20N6O — CID 142343961

IUPAC[6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(Nc3nc4ccccc4[nH]3)n2)CC1
InChIInChI=1S/C18H20N6O/c1-23-9-11-24(12-10-23)17(25)15-7-4-8-16(19-15)22-18-20-13-5-2-3-6-14(13)21-18/h2-8H,9-12H2,1H3,(H2,19,20,21,22)
InChIKeyBEZYDTGEBZXPHH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.09
Rot. Bonds3

About [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 142343961) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID142343961
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(Nc3nc4ccccc4[nH]3)n2)CC1
InChIInChI=1S/C18H20N6O/c1-23-9-11-24(12-10-23)17(25)15-7-4-8-16(19-15)22-18-20-13-5-2-3-6-14(13)21-18/h2-8H,9-12H2,1H3,(H2,19,20,21,22)
InChIKeyBEZYDTGEBZXPHH-UHFFFAOYSA-N
XLogP2.09
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
CID 121299620
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240932
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone
CID 121298742
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 62232700

Frequently Asked Questions

What is the IUPAC name of [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 142343961) is [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc(Nc3nc4ccccc4[nH]3)n2)CC1.
What is the InChIKey of [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BEZYDTGEBZXPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-9-11-24(12-10-23)17(25)15-7-4-8-16(19-15)22-18-20-13-5-2-3-6-14(13)21-18/h2-8H,9-12H2,1H3,(H2,19,20,21,22).
What are the key properties of [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 142343961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).