3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide

C19H19BrN4O2 — CID 35955632

IUPAC3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19BrN4O2/c1-12-10-13(20)6-7-14(12)24-19(26)11-21-18(25)9-8-17-22-15-4-2-3-5-16(15)23-17/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyGLWINNLBBSNEIJ-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.32
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide (PubChem CID 35955632) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
PubChem CID35955632
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19BrN4O2/c1-12-10-13(20)6-7-14(12)24-19(26)11-21-18(25)9-8-17-22-15-4-2-3-5-16(15)23-17/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyGLWINNLBBSNEIJ-UHFFFAOYSA-N
XLogP3.32
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340123
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N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
CID 167959387
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
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3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
CID 26071027
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide
CID 55704272
3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
CID 56791675

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide (CID 35955632) is 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide?
The InChIKey is GLWINNLBBSNEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-12-10-13(20)6-7-14(12)24-19(26)11-21-18(25)9-8-17-22-15-4-2-3-5-16(15)23-17/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide has a molecular weight of 415.29 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 35955632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).