2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide

C14H19N3O2 — CID 115178873

IUPAC2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
SMILESCN(Cc1ccc2c(c1)ncn2C)C(=O)C(C)(C)O
InChIInChI=1S/C14H19N3O2/c1-14(2,19)13(18)16(3)8-10-5-6-12-11(7-10)15-9-17(12)4/h5-7,9,19H,8H2,1-4H3
InChIKeyKLTYGEINUHDXPD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.30
Rot. Bonds3

About 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide

2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide (PubChem CID 115178873) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
PubChem CID115178873
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
SMILESCN(Cc1ccc2c(c1)ncn2C)C(=O)C(C)(C)O
InChIInChI=1S/C14H19N3O2/c1-14(2,19)13(18)16(3)8-10-5-6-12-11(7-10)15-9-17(12)4/h5-7,9,19H,8H2,1-4H3
InChIKeyKLTYGEINUHDXPD-UHFFFAOYSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-methyl-1-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 115192819
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
CID 115218062
2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115257973
N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115259483
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]propanoic acid
CID 117041964
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115139454
(E)-4-(1-methylbenzimidazol-5-yl)but-2-enoic acid
CID 116866062
2,2-difluoro-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116838287

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide (CID 115178873) is 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide is CN(Cc1ccc2c(c1)ncn2C)C(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide?
The InChIKey is KLTYGEINUHDXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,19)13(18)16(3)8-10-5-6-12-11(7-10)15-9-17(12)4/h5-7,9,19H,8H2,1-4H3.
What are the key properties of 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide?
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide has a molecular weight of 261.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 115178873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).