2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide

C16H22N4O2 — CID 119860398

IUPAC2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C16H22N4O2/c1-10(9-17-2)16(21)18-11-5-6-12-13(8-11)20-15(19-12)14-4-3-7-22-14/h5-6,8,10,14,17H,3-4,7,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUSTFUOQBEXPRCX-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.21
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide

2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide (PubChem CID 119860398) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
PubChem CID119860398
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C16H22N4O2/c1-10(9-17-2)16(21)18-11-5-6-12-13(8-11)20-15(19-12)14-4-3-7-22-14/h5-6,8,10,14,17H,3-4,7,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUSTFUOQBEXPRCX-UHFFFAOYSA-N
XLogP2.21
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
CID 119860409
(2S)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-3-ylpropanamide
CID 95980969
(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
CID 124506480
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 120669855
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47825848
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide (CID 119860398) is 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide is CNCC(C)C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide?
The InChIKey is USTFUOQBEXPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(9-17-2)16(21)18-11-5-6-12-13(8-11)20-15(19-12)14-4-3-7-22-14/h5-6,8,10,14,17H,3-4,7,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide?
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide is sourced from PubChem (CID 119860398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).