N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

C16H21N5O2 — CID 118783842

IUPACN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)CN3CCN(C)C3=O)nc12
InChIInChI=1S/C16H21N5O2/c1-11-5-4-6-12-15(11)18-13(17-12)9-20(3)14(22)10-21-8-7-19(2)16(21)23/h4-6H,7-10H2,1-3H3,(H,17,18)
InChIKeyHOSYRJPXYUUGMW-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.20
Rot. Bonds4

About N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (PubChem CID 118783842) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
PubChem CID118783842
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)CN3CCN(C)C3=O)nc12
InChIInChI=1S/C16H21N5O2/c1-11-5-4-6-12-15(11)18-13(17-12)9-20(3)14(22)10-21-8-7-19(2)16(21)23/h4-6H,7-10H2,1-3H3,(H,17,18)
InChIKeyHOSYRJPXYUUGMW-UHFFFAOYSA-N
XLogP1.20
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773707
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 118793681
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 119059522
(2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide
CID 95199283
(2R)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide
CID 95199282
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119654740
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 50980745
1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine
CID 120971911
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105
1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]urea
CID 122558060

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (CID 118783842) is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is Cc1cccc2[nH]c(CN(C)C(=O)CN3CCN(C)C3=O)nc12.
What is the InChIKey of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is HOSYRJPXYUUGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-5-4-6-12-15(11)18-13(17-12)9-20(3)14(22)10-21-8-7-19(2)16(21)23/h4-6H,7-10H2,1-3H3,(H,17,18).
What are the key properties of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 118783842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).