[4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

C24H26N6O — CID 164627718

IUPAC[4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C24H26N6O/c25-12-16-1-3-18(4-2-16)23-24(19-5-6-20-21(11-19)29-15-28-20)30-22(13-27-23)31-14-17-7-9-26-10-8-17/h1-6,11,13,15,17,26H,7-10,12,14,25H2,(H,28,29)
InChIKeyMFNVTBUSEWVSOB-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.52
Rot. Bonds6

About [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

[4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (PubChem CID 164627718) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
PubChem CID164627718
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name[4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C24H26N6O/c25-12-16-1-3-18(4-2-16)23-24(19-5-6-20-21(11-19)29-15-28-20)30-22(13-27-23)31-14-17-7-9-26-10-8-17/h1-6,11,13,15,17,26H,7-10,12,14,25H2,(H,28,29)
InChIKeyMFNVTBUSEWVSOB-UHFFFAOYSA-N
XLogP3.52
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol
CID 164624109
5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride
CID 155194418
2,3-bis[4-(furan-2-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
CID 155194512
[4-[5-(cyclohexylmethoxy)-3-[4-(furan-3-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
CID 155194352
6-[[6-(piperidin-4-ylmethoxy)pyrazin-2-yl]methyl]-3H-imidazo[4,5-c]pyridine
CID 59636448
2-(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)-3-(1-piperidin-4-ylpyrazol-4-yl)pyrazine;hydrochloride
CID 155194584
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
4-(piperidin-4-ylmethoxy)-1H-benzimidazole
CID 84694709
[4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 143629716
6-(azetidin-3-ylmethoxy)-1H-benzimidazole
CID 84671565
[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol
CID 127026390
5-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(cyclopropylmethoxy)phenol
CID 156522416

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (CID 164627718) is [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is MFNVTBUSEWVSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c25-12-16-1-3-18(4-2-16)23-24(19-5-6-20-21(11-19)29-15-28-20)30-22(13-27-23)31-14-17-7-9-26-10-8-17/h1-6,11,13,15,17,26H,7-10,12,14,25H2,(H,28,29).
What are the key properties of [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
[4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 414.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3H-benzimidazol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 164627718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).