N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide

C19H21N5O2 — CID 2971924

IUPACN-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C
InChIInChI=1S/C19H21N5O2/c1-13(25)20-11-10-18-23-16-12-15(8-9-17(16)24(18)2)22-19(26)21-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyKNZCRLUUZUYQKV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide

N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 2971924) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide
PubChem CID2971924
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C
InChIInChI=1S/C19H21N5O2/c1-13(25)20-11-10-18-23-16-12-15(8-9-17(16)24(18)2)22-19(26)21-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyKNZCRLUUZUYQKV-UHFFFAOYSA-N
XLogP2.90
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide (CID 2971924) is N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C.
What is the InChIKey of N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is KNZCRLUUZUYQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(25)20-11-10-18-23-16-12-15(8-9-17(16)24(18)2)22-19(26)21-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H2,21,22,26).
What are the key properties of N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 2971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).