N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

C19H24N4OS — CID 121239761

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
SMILESCSCCC(C(=O)NC(C)c1nc2ccccc2n1C)n1cccc1
InChIInChI=1S/C19H24N4OS/c1-14(18-21-15-8-4-5-9-16(15)22(18)2)20-19(24)17(10-13-25-3)23-11-6-7-12-23/h4-9,11-12,14,17H,10,13H2,1-3H3,(H,20,24)
InChIKeyFLWGZTLFEGEPBQ-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.55
Rot. Bonds7

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide (PubChem CID 121239761) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
PubChem CID121239761
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
SMILESCSCCC(C(=O)NC(C)c1nc2ccccc2n1C)n1cccc1
InChIInChI=1S/C19H24N4OS/c1-14(18-21-15-8-4-5-9-16(15)22(18)2)20-19(24)17(10-13-25-3)23-11-6-7-12-23/h4-9,11-12,14,17H,10,13H2,1-3H3,(H,20,24)
InChIKeyFLWGZTLFEGEPBQ-UHFFFAOYSA-N
XLogP3.55
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240297
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492
3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 124862718
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide
CID 124862001
(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 119890012
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 110210186
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 91638736

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide (CID 121239761) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide is CSCCC(C(=O)NC(C)c1nc2ccccc2n1C)n1cccc1.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The InChIKey is FLWGZTLFEGEPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14(18-21-15-8-4-5-9-16(15)22(18)2)20-19(24)17(10-13-25-3)23-11-6-7-12-23/h4-9,11-12,14,17H,10,13H2,1-3H3,(H,20,24).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide has a molecular weight of 356.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 121239761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).