3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide

C19H28N4O2 — CID 4900397

IUPAC3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C
InChIInChI=1S/C19H28N4O2/c1-14(2)12-19(24)20-15-4-5-17-16(13-15)21-18(22(17)3)6-7-23-8-10-25-11-9-23/h4-5,13-14H,6-12H2,1-3H3,(H,20,24)
InChIKeyDYEJYDXVUSJVHU-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.43
Rot. Bonds6

About 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide

3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide (PubChem CID 4900397) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
PubChem CID4900397
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C
InChIInChI=1S/C19H28N4O2/c1-14(2)12-19(24)20-15-4-5-17-16(13-15)21-18(22(17)3)6-7-23-8-10-25-11-9-23/h4-5,13-14H,6-12H2,1-3H3,(H,20,24)
InChIKeyDYEJYDXVUSJVHU-UHFFFAOYSA-N
XLogP2.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
CID 4890224
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
CID 4886719
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 4972904
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 4898424
3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4886323
N-[2-(1,3-benzodioxol-5-yloxymethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 39047408
3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
CID 46270387

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide (CID 4900397) is 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide is CC(C)CC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C.
What is the InChIKey of 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide?
The InChIKey is DYEJYDXVUSJVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)12-19(24)20-15-4-5-17-16(13-15)21-18(22(17)3)6-7-23-8-10-25-11-9-23/h4-5,13-14H,6-12H2,1-3H3,(H,20,24).
What are the key properties of 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide?
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide has a molecular weight of 344.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide is sourced from PubChem (CID 4900397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).