2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide

C19H22N4O2 — CID 70871122

IUPAC2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide
SMILESCn1c(CNC(C)(C)C(N)=O)nc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C19H22N4O2/c1-19(2,18(20)24)21-12-17-22-15-10-9-14(11-16(15)23(17)3)25-13-7-5-4-6-8-13/h4-11,21H,12H2,1-3H3,(H2,20,24)
InChIKeyDQZQUBRAVCBFQE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.72
Rot. Bonds6

About 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide

2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide (PubChem CID 70871122) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide
PubChem CID70871122
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide
SMILESCn1c(CNC(C)(C)C(N)=O)nc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C19H22N4O2/c1-19(2,18(20)24)21-12-17-22-15-10-9-14(11-16(15)23(17)3)25-13-7-5-4-6-8-13/h4-11,21H,12H2,1-3H3,(H2,20,24)
InChIKeyDQZQUBRAVCBFQE-UHFFFAOYSA-N
XLogP2.72
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide?
The IUPAC name of 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide (CID 70871122) is 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide?
The canonical SMILES for 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide is Cn1c(CNC(C)(C)C(N)=O)nc2ccc(Oc3ccccc3)cc21.
What is the InChIKey of 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide?
The InChIKey is DQZQUBRAVCBFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,18(20)24)21-12-17-22-15-10-9-14(11-16(15)23(17)3)25-13-7-5-4-6-8-13/h4-11,21H,12H2,1-3H3,(H2,20,24).
What are the key properties of 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide?
2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 70871122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).