[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride

C24H28ClN7O — CID 67292810

IUPAC[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride
SMILESCc1cn(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)cn1.Cl
InChIInChI=1S/C24H27N7O.ClH/c1-16-14-31(15-26-16)22-12-17(6-9-25-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(2)3;/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,28);1H
InChIKeyRHMSYQJDCHYWSO-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.64
Rot. Bonds5

About [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride

[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride (PubChem CID 67292810) has the molecular formula C24H28ClN7O and a molecular weight of 465.99 g/mol. Its IUPAC name is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride.

Molecular Properties

Compound Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride
PubChem CID67292810
Molecular FormulaC24H28ClN7O
Molecular Weight465.99 g/mol
Exact Mass465.20
IUPAC Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride
SMILESCc1cn(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)cn1.Cl
InChIInChI=1S/C24H27N7O.ClH/c1-16-14-31(15-26-16)22-12-17(6-9-25-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(2)3;/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,28);1H
InChIKeyRHMSYQJDCHYWSO-UHFFFAOYSA-N
XLogP3.64
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride?
The IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride (CID 67292810) is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride.
What is the SMILES notation for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride?
The canonical SMILES for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride is Cc1cn(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)cn1.Cl.
What is the InChIKey of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride?
The InChIKey is RHMSYQJDCHYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O.ClH/c1-16-14-31(15-26-16)22-12-17(6-9-25-22)23(32)24-27-20-5-4-19(13-21(20)28-24)30-10-7-18(8-11-30)29(2)3;/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H,27,28);1H.
What are the key properties of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride?
[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride has a molecular weight of 465.99 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[2-(4-methylimidazol-1-yl)-4-pyridinyl]methanone;hydrochloride is sourced from PubChem (CID 67292810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).