N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

C19H18N6O3 — CID 95200164

IUPACN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCc1cccnc1-n1cnc2ccccc21
InChIInChI=1S/C19H18N6O3/c26-16(8-7-14-18(27)24-19(28)23-14)21-10-12-4-3-9-20-17(12)25-11-22-13-5-1-2-6-15(13)25/h1-6,9,11,14H,7-8,10H2,(H,21,26)(H2,23,24,27,28)/t14-/m0/s1
InChIKeyBCVZEUWAJTZXJC-AWEZNQCLSA-N
MW378.39 g/mol
LogP1.02
Rot. Bonds6

About N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 95200164) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID95200164
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC NameN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCc1cccnc1-n1cnc2ccccc21
InChIInChI=1S/C19H18N6O3/c26-16(8-7-14-18(27)24-19(28)23-14)21-10-12-4-3-9-20-17(12)25-11-22-13-5-1-2-6-15(13)25/h1-6,9,11,14H,7-8,10H2,(H,21,26)(H2,23,24,27,28)/t14-/m0/s1
InChIKeyBCVZEUWAJTZXJC-AWEZNQCLSA-N
XLogP1.02
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide
CID 45182568
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide
CID 95191566
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95223644
[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride
CID 50988410
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 70730130
3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 39347905
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 70723639
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75356814
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
CID 39969885
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076

Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 95200164) is N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cccnc1-n1cnc2ccccc21.
What is the InChIKey of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is BCVZEUWAJTZXJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N6O3/c26-16(8-7-14-18(27)24-19(28)23-14)21-10-12-4-3-9-20-17(12)25-11-22-13-5-1-2-6-15(13)25/h1-6,9,11,14H,7-8,10H2,(H,21,26)(H2,23,24,27,28)/t14-/m0/s1.
What are the key properties of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 378.39 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 95200164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).