N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide

C18H20N4O — CID 157016920

IUPACN,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(Nc2ccc3ncn(C)c3c2)cc1
InChIInChI=1S/C18H20N4O/c1-21(2)18(23)10-13-4-6-14(7-5-13)20-15-8-9-16-17(11-15)22(3)12-19-16/h4-9,11-12,20H,10H2,1-3H3
InChIKeyGYJZGRCPAXEYRA-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.95
Rot. Bonds4

About N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide

N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide (PubChem CID 157016920) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide
PubChem CID157016920
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(Nc2ccc3ncn(C)c3c2)cc1
InChIInChI=1S/C18H20N4O/c1-21(2)18(23)10-13-4-6-14(7-5-13)20-15-8-9-16-17(11-15)22(3)12-19-16/h4-9,11-12,20H,10H2,1-3H3
InChIKeyGYJZGRCPAXEYRA-UHFFFAOYSA-N
XLogP2.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide (CID 157016920) is N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide is CN(C)C(=O)Cc1ccc(Nc2ccc3ncn(C)c3c2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide?
The InChIKey is GYJZGRCPAXEYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21(2)18(23)10-13-4-6-14(7-5-13)20-15-8-9-16-17(11-15)22(3)12-19-16/h4-9,11-12,20H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide?
N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide is sourced from PubChem (CID 157016920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).