N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine

C26H24N4S — CID 44530527

IUPACN-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C26H24N4S/c1-30(17-15-21-6-4-5-16-27-21)18-19-9-11-20(12-10-19)24-13-14-25(31-24)26-28-22-7-2-3-8-23(22)29-26/h2-14,16H,15,17-18H2,1H3,(H,28,29)
InChIKeyLAVGCTDAPZSZNG-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.03
Rot. Bonds7

About N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 44530527) has the molecular formula C26H24N4S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID44530527
Molecular FormulaC26H24N4S
Molecular Weight424.57 g/mol
Exact Mass424.17
IUPAC NameN-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C26H24N4S/c1-30(17-15-21-6-4-5-16-27-21)18-19-9-11-20(12-10-19)24-13-14-25(31-24)26-28-22-7-2-3-8-23(22)29-26/h2-14,16H,15,17-18H2,1H3,(H,28,29)
InChIKeyLAVGCTDAPZSZNG-UHFFFAOYSA-N
XLogP6.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 44530527) is N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1.
What is the InChIKey of N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is LAVGCTDAPZSZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4S/c1-30(17-15-21-6-4-5-16-27-21)18-19-9-11-20(12-10-19)24-13-14-25(31-24)26-28-22-7-2-3-8-23(22)29-26/h2-14,16H,15,17-18H2,1H3,(H,28,29).
What are the key properties of N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 424.57 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 44530527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).