N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide

C20H24N4OS — CID 75489438

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
SMILESO=C(CC1(n2cccc2)CCSCC1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H24N4OS/c25-19(15-20(8-13-26-14-9-20)24-11-3-4-12-24)21-10-7-18-22-16-5-1-2-6-17(16)23-18/h1-6,11-12H,7-10,13-15H2,(H,21,25)(H,22,23)
InChIKeyAVUHANLREHTLQA-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide (PubChem CID 75489438) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
PubChem CID75489438
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
SMILESO=C(CC1(n2cccc2)CCSCC1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H24N4OS/c25-19(15-20(8-13-26-14-9-20)24-11-3-4-12-24)21-10-7-18-22-16-5-1-2-6-17(16)23-18/h1-6,11-12H,7-10,13-15H2,(H,21,25)(H,22,23)
InChIKeyAVUHANLREHTLQA-UHFFFAOYSA-N
XLogP3.34
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71827812
N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
CID 124873381
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940828
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 43229184
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide (CID 75489438) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide is O=C(CC1(n2cccc2)CCSCC1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide?
The InChIKey is AVUHANLREHTLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c25-19(15-20(8-13-26-14-9-20)24-11-3-4-12-24)21-10-7-18-22-16-5-1-2-6-17(16)23-18/h1-6,11-12H,7-10,13-15H2,(H,21,25)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide has a molecular weight of 368.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide is sourced from PubChem (CID 75489438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).