3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide

C24H21N5OS — CID 44523606

IUPAC3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CCc5cnc[nH]5)c4)s3)nc12
InChIInChI=1S/C24H21N5OS/c1-15-4-2-7-19-23(15)29-24(28-19)21-10-9-20(31-21)16-5-3-6-17(12-16)27-22(30)11-8-18-13-25-14-26-18/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,26)(H,27,30)(H,28,29)
InChIKeyNYYRUTSBIZFFDQ-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.56
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide

3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide (PubChem CID 44523606) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide
PubChem CID44523606
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CCc5cnc[nH]5)c4)s3)nc12
InChIInChI=1S/C24H21N5OS/c1-15-4-2-7-19-23(15)29-24(28-19)21-10-9-20(31-21)16-5-3-6-17(12-16)27-22(30)11-8-18-13-25-14-26-18/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,26)(H,27,30)(H,28,29)
InChIKeyNYYRUTSBIZFFDQ-UHFFFAOYSA-N
XLogP5.56
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-[4-phenyl-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581429
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide
CID 156026027
methyl N-[(2S)-1-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 49869012
methyl N-[(1S)-1-[(2S,4S)-2-[5-[4-[5-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53467590
PhCH2CH2(CO)ThiAla-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2
CID 44359136
N-[3-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophene-2-carboxamide
CID 168279025
N-[4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-2-(2-thienyl)acetamide
CID 839597
N-(2-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-benzylamino}-ethyl)-acetamide
CID 18382946
N-[[2-(aminomethyl)-3-thienyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53319240
N-[4-fluoro-3-(6-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 76314294
N-[4-fluoro-3-(6-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 76325177
N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 121272745

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide (CID 44523606) is 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide is Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CCc5cnc[nH]5)c4)s3)nc12.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide?
The InChIKey is NYYRUTSBIZFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-15-4-2-7-19-23(15)29-24(28-19)21-10-9-20(31-21)16-5-3-6-17(12-16)27-22(30)11-8-18-13-25-14-26-18/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide?
3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide has a molecular weight of 427.53 g/mol, XLogP of 5.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]propanamide is sourced from PubChem (CID 44523606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).