N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide

C19H26N4O2 — CID 118773707

IUPACN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)CCN3CCCCCC3=O)nc12
InChIInChI=1S/C19H26N4O2/c1-14-7-6-8-15-19(14)21-16(20-15)13-22(2)17(24)10-12-23-11-5-3-4-9-18(23)25/h6-8H,3-5,9-13H2,1-2H3,(H,20,21)
InChIKeyNRCMHSNYRWDSHF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide

N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 118773707) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID118773707
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)CCN3CCCCCC3=O)nc12
InChIInChI=1S/C19H26N4O2/c1-14-7-6-8-15-19(14)21-16(20-15)13-22(2)17(24)10-12-23-11-5-3-4-9-18(23)25/h6-8H,3-5,9-13H2,1-2H3,(H,20,21)
InChIKeyNRCMHSNYRWDSHF-UHFFFAOYSA-N
XLogP2.62
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide (CID 118773707) is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide is Cc1cccc2[nH]c(CN(C)C(=O)CCN3CCCCCC3=O)nc12.
What is the InChIKey of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is NRCMHSNYRWDSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-7-6-8-15-19(14)21-16(20-15)13-22(2)17(24)10-12-23-11-5-3-4-9-18(23)25/h6-8H,3-5,9-13H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 118773707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).