N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

C26H35N5O2S — CID 123429267

IUPACN-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)NC3CCN(C)CC3)ccc21
InChIInChI=1S/C26H35N5O2S/c1-4-20(5-2)31-23-9-8-18(15-22(23)29-24(31)16-21-7-6-14-34-21)26(33)27-17-25(32)28-19-10-12-30(3)13-11-19/h6-9,14-15,19-20H,4-5,10-13,16-17H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyBRHNWPHHRWSMFF-UHFFFAOYSA-N
MW481.67 g/mol
LogP3.99
Rot. Bonds9

About N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 123429267) has the molecular formula C26H35N5O2S and a molecular weight of 481.67 g/mol. Its IUPAC name is N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID123429267
Molecular FormulaC26H35N5O2S
Molecular Weight481.67 g/mol
Exact Mass481.25
IUPAC NameN-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)NC3CCN(C)CC3)ccc21
InChIInChI=1S/C26H35N5O2S/c1-4-20(5-2)31-23-9-8-18(15-22(23)29-24(31)16-21-7-6-14-34-21)26(33)27-17-25(32)28-19-10-12-30(3)13-11-19/h6-9,14-15,19-20H,4-5,10-13,16-17H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyBRHNWPHHRWSMFF-UHFFFAOYSA-N
XLogP3.99
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (CID 123429267) is N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is CCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)NC3CCN(C)CC3)ccc21.
What is the InChIKey of N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is BRHNWPHHRWSMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2S/c1-4-20(5-2)31-23-9-8-18(15-22(23)29-24(31)16-21-7-6-14-34-21)26(33)27-17-25(32)28-19-10-12-30(3)13-11-19/h6-9,14-15,19-20H,4-5,10-13,16-17H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 481.67 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 123429267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).